Nucleophilic Reaction Research Articles

Synthesis and application of the AIE-ESIPT fluorescent probe for Cystiene detection: Crystal structure analysis and DFT calculation

Accurate detection of Cysteine (Cys) in cells is critical for clinical diagnosis and pathogen detection. It was of practical significance to develop fluorescent probes with specific recognition and rapid detection of Cys. Therefore, based on the nucleophile reaction and intramolecular cyclization reaction between biothiols and acrylates (AAS), a fluorescence probe, BTY-TPE-AAS, was designed and synthesized by combining the advantages of the Aggregation-Induced Emission (AIE) and Excited-State Intramolecular Proton Transfer (ESIPT) mechanisms. BTY-TPE-AAS could specifically detect Cys with a short detection time and strong anti-interference, which had important application value in the monitoring of Cys in the biomedical field. It provided some reference values for the design of a specific fluorescent probe for Cys detection.

Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach.

Understanding and predicting the nucleophilic reactivity are paramount in elucidating organic chemical reactions and designing new synthetic pathways. In this study, we propose a nucleophilicity index within the framework of Conceptual Density Functional Theory (CDFT). Through rigorous theoretical formulations, we introduce an original quantum reactivity descriptor that captures the nucleophilic propensity of molecules based on their electronic structure and chemical environment. Subsequently, this proposed index is applied to a series of nucleophiles (pyrrolidines derivatives), spanning a diverse range of chemical functionalities. Our computational assessments reveal insightful correlations between the predicted nucleophilicity index and experimental observations of nucleophilic behavior. Thereby, they offer a promising avenue for advancing the understanding of organic reactivity and guiding synthetic efforts. Experimentally, Mayr's experimental parameters accounting for nucleophilicity were selected for the pyrrolidines. This study used DFT calculations at the B3LYP/Aug-cc-pVTZ level of theory using the Gaussian 16 program. Geometry optimization was thus performed, and the methodology employed for the computation of quantum reactivity descriptor is presented. Solvent effect was also taken into account using IEFPCM, and empirical dispersion correction (GD3) was employed.

Regio- and stereoselective access to highly substituted vinylphosphine oxides via metal-free electrophilic phosphonoiodination of alkynes

In general, the P-centered ring-opening of quaternary phosphirenium salts (QPrS) predominantly leads to hydrophosphorylated products, while the C-centered ring-opening is primarily confined to intramolecular nucleophilic reactions, resulting in the formation of phosphorus-containing cyclization products instead of difunctionalized products generated through intermolecular nucleophilic processes. Here, through the promotion of ring-opening of three-member rings by iodine anions and the quenching of electronegative carbon atoms by iodine cations, we successfully synthesize β-functionalized vinylphosphine oxides by the P-addition of QPrS intermediates generated in situ. Multiple β-iodo-substituted vinylphosphine oxides can be obtained with exceptional regio- and stereo-selectivity by reacting secondary phosphine oxides with unactivated alkynes. In addition, a variety of β-functionalized vinylphosphine oxides converted from C-I bonds, especially the rapid construction of benzo[b]phospholes oxides, demonstrates the significance of this strategy.

P,N-Coordinating Ylide-Functionalized Phosphines (NYPhos): A Ligand Platform for the Selective Monoarylation of Small Nucleophiles.

Palladium-catalyzed coupling reactions of small nucleophiles are of great interest, but challenging due to difficulties in selectivity control. Herein, we report the development of a new platform of P,N-ligands consisting of ylide-functionalized phosphines with aminophosphonium groups (NYPhos) to address this challenge. These phosphine ligands are easily accessible in a wide structural diversity with highly modular electronic and steric properties. Based on a family of 14 ligands the selective monoarylation of acetone as well as other challenging ketones and amides was accomplished with record-setting activities even for aryl chlorides at room temperature including late-stage functionalizations of drug molecules. Moreover, ammonia and other small primary amines could be coupled at mild conditions. Isolation and structure analyses of palladium complexes within the catalytic cycle confirmed that the P,N-coordination mode is necessary to achieve the observed selectivities. It also demonstrated the facile adjustability of the N-donor strength, which is beneficial for the targeted design of tailored P,N-ligands for future applications.

Low-coordinated copper facilitates the *CH2CO affinity at enhanced rectifying interface of Cu/Cu2O for efficient CO2-to-multicarbon alcohols conversion

The carbon−carbon coupling at the Cu/Cu2O Schottky interface has been widely recognized as a promising approach for electrocatalytic CO2 conversion into value-added alcohols. However, the limited selectivity of C2+ alcohols persists due to the insufficient control over rectifying interface characteristics required for precise bonding of oxyhydrocarbons. Herein, we present an investigation into the manipulation of the coordination environment of Cu sites through an in-situ electrochemical reconstruction strategy, which indicates that the construction of low-coordinated Cu sites at the Cu/Cu2O interface facilitates the enhanced rectifying interfaces, and induces asymmetric electronic perturbation and faster electron exchange, thereby boosting C-C coupling and bonding oxyhydrocarbons towards the nucleophilic reaction process of *H2CCO-CO. Impressively, the low-coordinated Cu sites at the Cu/Cu2O interface exhibit superior faradic efficiency of 64.15 ± 1.92% and energy efficiency of ~39.32% for C2+ alcohols production, while maintaining stability for over 50 h (faradic efficiency >50%, total current density = 200 mA cm−2) in a flow-cell electrolyzer. Theoretical calculations, operando synchrotron radiation Fourier transform infrared spectroscopy, and Raman experiments decipher that the low-coordinated Cu sites at the Cu/Cu2O interface can enhance the coverage of *CO and adsorption of *CH2CO and CH2CHO, facilitating the formation of C2+ alcohols.

Surface-enhanced Raman scattering sensor based on cysteine-mediated nucleophilic addition reaction for detection of patulin

Fruits are susceptible to fungal infection and propagation during storage and transportation, and carry toxic metabolites of fungi. Patulin (PAT) is a primary mycotoxin contaminant in fruits and their products, with neurotoxicity, teratogenicity and carcinogenicity. The current chromatographic methods have limitations such as time-consuming, high-cost and the need for professional training. For rapid and sensitive detection of PAT, a surface-enhanced Raman scattering (SERS) method based on nucleophilic addition reaction was described in this paper. 4-aminothiophenol (4-ATP), silver ion, and cysteine (Cys) were successively attached to the surface of the Au-core-Ag-shell nanoparticles to form SERS sensors. PAT reacted with Cys to form a complex covering the surface of the sensor, attenuating the Raman signal from 4-ATP. Combined with the chemometrics algorithms, the hidden spectral information can be extracted effectively. Among these algorithms, the ant colony optimization partial least squares (ACO-PLS) model demonstrated the best predictive performance (Rc = 0.9985, RMSEC = 0.0494). The recovery rate of PAT was 96.58 ∼ 101.74 % with the RSD ≤ 1.42 %. HPLC was used to verify the applicability of this SERS method, and the results indicated that the SERS method was consistent with the HPLC method (p = 0.283 > 0.05). Furthermore, the SERS sensor was not subject to interference from ochratoxins A, alternariol, and the PAT structural analogues. Consequently, the proposed SERS sensor can realize rapid and highly selective detection of PAT, providing a new strategy for the rational design of SERS sensor based on chemical reaction for indirect detection of harmful substances.

Exploring novel dilazep derivatives as hENT1 inhibitors and potentially covalent molecular tools.

The human equilibrative nucleoside transporter 1 (SLC29A1, hENT1) is a solute carrier that modulates the passive transport of nucleosides and nucleobases, such as adenosine. This nucleoside regulates various physiological processes, such as vasodilation and -constriction, neurotransmission and immune defense. Marketed drugs such as dilazep and dipyridamole have proven useful in cardiovascular afflictions, but the application of hENT1 inhibitors can be beneficial in a number of other diseases. In this study, 39 derivatives of dilazep's close analogue ST7092 were designed, synthesized and subsequently assessed using [3H]NBTI displacement assays and molecular docking. Different substitution patterns of the trimethoxy benzoates of ST7092 reduced interactions within the binding pocket, resulting in diminished hENT1 affinity. Conversely, [3H]NBTI displacement by potentially covalent compounds 14b, 14c, and 14d resulted in high affinities (Ki values between 1.1 and 17.5 nM) for the transporter, primarily by the ability of accommodating the inhibitors in various ways in the binding pocket. However, any indication of covalent binding with amino acid residue C439 remained absent, conceivably as a result of decreased nucleophilic residue reactivity. In conclusion, this research introduces novel dilazep derivatives that are active as hENT1 inhibitors, along with the first high affinity dilazep derivatives equipped with an electrophilic warhead. These findings will aid the rational and structure-based development of novel hENT1 inhibitors and pharmacological tools to study hENT1's function, binding mechanisms, and its relevance in (patho)physiological conditions.

‘Flash-Flow’ Generation and Exploitation of 3-Oxetanyllithium as a Reactive Nucleophile

‘Flash-Flow’ Generation and Exploitation of 3-Oxetanyllithium as a Reactive Nucleophile

Multielectron Reduction of Esters by a Diazabenzacenaphthenium Photoredox Catalyst.

A novel diazabenzacenaphthenium photocatalyst, N-BAP, with high photoredox abilities and visible-light absorption was designed and prepared in one step. Under visible-light irradiation, N-BAP promoted the four-electron reduction of esters in the presence of ammonium oxalate as a "traceless reductant" to generate carbinol anion intermediates that underwent protonation with water to give the corresponding alcohols. The resulting carbinol anions also exhibited nucleophilic reactivity under the photocatalytic conditions to undergo a 1,2-addition to a second carbonyl compound, affording unsymmetric 1,2-diols.

Be12B12: A core@cage structure beryllo-borospherene

A new class of beryllium-boron cluster, core@cage structure beryllo-borospherene, is described herein theoretically. The global minimum of Be12B12 cluster is a core@cage configuration with D3 symmetry, one Be atom is positioned at the center of cage, with the cage surface composed of η6-Be atom face-capping a hexagon (a Be atom occupies a Be3B3 hexagon in a face-capping η6 configuration) at both ends (top and bottom) and a jagged Be3B6 ring in the middle. Theoretical analyses reveal that in this system, the Be atom serves as donor for almost two electrons to the B atoms, forming typical electrostatic interactions, while the interaction between the B atoms is mainly covalent interaction. Further theoretical calculations indicate that the core@cage structure Be12B12 exhibits unique polarization properties, nucleophilic and electrophilic reaction site characteristics, and spectral properties. Similar to the magic-size (CdSe)13 and B12N12, Be12B12 is anticipated to yield more exotic properties and further widespread applications.

Synthesis of a Family of Pd(II) Complexes Using Pyridyl-Ketone Ligands: Crystal Structure, Thermal, Physicochemical, XRD/HSA, Docking, and Heck Reaction Application.

Four Pd(II) complexes, (dpk)PdCl2 (complex-1), and (dpk)Pd(OAc)2 (complex-2) have been prepared using di(2-pyridyl) ketone as the chelate ligand (dpk). The (dpk·EtOH)PdCl2 (complex-3) and (dpk·EtOH)Pd(OAc)2 (complex-4) were synthesized by selectively introducing complex-1 and complex-2 to an EtOH in situ nucleophilic addition reaction on the O=C of the dpk ligand, respectively. All complexes were characterized using CHN-EA, UV-vis, FT-IR, FAB-MS, EDX, TGA, and NMR physicochemical tools. The XRD-crystallography technique was employed to ascertain the structure of complex-3. The analysis revealed a monoclinic/P21/c crystal system characterized by a square planar structure oriented in the cis direction around the Pd center. Several C-H···Cl and O-H···O H-bonds constructing 2D-S12 and S7 synthons were confirmed via XRD/HSA interactions. The influence of EtOH addition to the O=C group of dpk in (dpk)PdCl2 was documented by using UV-vis/FT-IR spectra and TGA analysis. As catalysts, all complexes have demonstrated a notable catalytic function in the Heck reaction, resulting in a high yield under gentle conditions using iodobenzene and methyl acrylate as model reactions. Moreover, the complex-1 and complex-3 docking activity was evaluated against 1BNA-DNA.

Highly Efficient One-pot Electrosynthesis of Oxime Ethers from NOx over Ultrafine MgO Nanoparticles Derived from Mg-based Metal-Organic Frameworks.

Oxime ethers are attractive compounds in medicinal scaffolds due to the biological and pharmaceutical properties, however, the crucial and widespread step of industrial oxime formation using explosive hydroxylamine (NH2OH) is insecure and troublesome. Herein, we present a convenient method of oxime ether synthesis in a one-pot tandem electrochemical system using magnesium based metal-organic framework-derived magnesium oxide anchoring in self-supporting carbon nanofiber membrane catalyst (MgO-SCM), the in situ produced NH2OH from nitrogen oxides electrocatalytic reduction coupled with aldehyde to produce 4-cyanobenzaldoxime with a selectivity of 93 % and Faraday efficiency up to 65.1 %, which further reacted with benzyl bromide to directly give oxime ether precipitate with a purity of 97 % by convenient filtering separation. The high efficiency was attributed to the ultrafine MgO nanoparticles in MgO-SCM, effectively inhibiting hydrogen evolution reaction and accelerating the production of NH2OH, which rapidly attacked carbonyl of aldehydes to form oximes, but hardly crossed the hydrogenation barrier of forming amines, thus leading to a high yield of oxime ether when coupling benzyl bromide nucleophilic reaction. This work highlights the importance of kinetic control in complex electrosynthetic organonitrogen system and demonstrates a green and safe alternative method for synthesis of organic nitrogen drug molecules.

Highly Efficient One‐pot Electrosynthesis of Oxime Ethers from NOx over Ultrafine MgO Nanoparticles Derived from Mg‐based Metal‐Organic Frameworks

AbstractOxime ethers are attractive compounds in medicinal scaffolds due to the biological and pharmaceutical properties, however, the crucial and widespread step of industrial oxime formation using explosive hydroxylamine (NH2OH) is insecure and troublesome. Herein, we present a convenient method of oxime ether synthesis in a one‐pot tandem electrochemical system using magnesium based metal‐organic framework‐derived magnesium oxide anchoring in self‐supporting carbon nanofiber membrane catalyst (MgO‐SCM), the in situ produced NH2OH from nitrogen oxides electrocatalytic reduction coupled with aldehyde to produce 4‐cyanobenzaldoxime with a selectivity of 93 % and Faraday efficiency up to 65.1 %, which further reacted with benzyl bromide to directly give oxime ether precipitate with a purity of 97 % by convenient filtering separation. The high efficiency was attributed to the ultrafine MgO nanoparticles in MgO‐SCM, effectively inhibiting hydrogen evolution reaction and accelerating the production of NH2OH, which rapidly attacked carbonyl of aldehydes to form oximes, but hardly crossed the hydrogenation barrier of forming amines, thus leading to a high yield of oxime ether when coupling benzyl bromide nucleophilic reaction. This work highlights the importance of kinetic control in complex electrosynthetic organonitrogen system and demonstrates a green and safe alternative method for synthesis of organic nitrogen drug molecules.

Molecular structure, optical, first-order hyper polarizability, electronic properties, reactivity (ELF and LOL) − computational analysis using DFT and Multiwfn for 2, 3-diaminopyridinium selenate

A detailed study on the first principle calculations of 2,3-diaminopyridinium selenite (2,3-DAPS) – an organometallic salt has been performed using B3LYP/6–311++G(d,p). Single crystal X-ray diffraction (XRD) analysis confirms that the crystal formed exhibits a monoclinic crystal structure, specifically belonging to the centrosymmetric space group P21/c. The obtained primitives and interfacial angles are as follows: a = 7.4978(15)Å, b = 7.6681(15) Å, c = 14.314(3) Å, α = γ = 90°, β = 93.75(3)°, and the volume of the unit cell V = 821.2(3) (Å)3. The structure was optimized with a global minimum. The natural bonding orbital charge transfer studies between the cation and anion was performed to gain insights into their electronic interactions. Energy gap and other global chemical reactivity descriptors have been computed with the aid of molecular orbital studies. The influence of solvent on the absorption spectra provided the evidence of solvent–solute interactions and their impact on the electronic transitions within the molecule. The presence of electrophilic and nucleophilic reactivity in the chemical is indicated by the molecular electrostatic potential (MEP) map. From the nonlinear optical (NLO) studies, it has been found that the first-order hyperpolarizability value is 30.771 × 10−31 esu, which is 8.252 times that of urea. This suggests that the compound may be a better non-linear optical material and suitable for laser applications. To calculate the proportion of intermolecular interactions and examine the distribution compound's electrostatic potential, a Hirshfeld surface analysis was conducted. The analysis provided insights into the spatial arrangement of molecules and their interactions. Additionally, topology path calculations elucidated the intrinsic connectivity between critical points, shedding light on the bonding characteristics within the compound. The likelihood of electron density at bonding and anti-bonding sites was also determined using the Electron Localization Function (ELF) and Localised Orbital Locator (LOL) plots. These analyses aided in understanding the electron distribution and the nature of chemical bonding within the compound, providing valuable information about its electronic structure and reactivity.

Preparation and photocuring performance of itaconic acid-derived hyperbranched macromers with internal and terminal C[dbnd]C bonds catalyzed by tetramethylguanidine

A series of hyperbranched polymers derived from biomass itaconic acid was prepared via aliphatic nucleophilic substitution polycondensation reaction under mild conditions by using bis(2-bromoethyl) itaconate and trimeric acid as A2 and B3 monomers, respectively, and tetramethylguanidine as catalyst. On this basis, the hyperbranched macromers that contained C = C double bonds in the internal skeleton and the periphery were obtained by further adding A1 monomer (2-bromoethyl acrylate) directly into the reaction system. The successful synthesis of these macromers were confirmed via proton nuclear magnetic resonance, Fourier transform infrared and gel permeation chromatography. The results of photo-differential scanning calorimetry and rheological experiments showed that these macromers exerted a positive effect on the ultraviolet (UV) curing of commercial resin. The properties of cured splines and coatings, such as mechanical properties, pencil hardness, and thermal stability, were considerably improved with the addition of hyperbranched macromers. They were significantly better than those of linear macromers and macromers that contained polymerizable groups only in the inner framework or their terminal units. The results show that both the inner and terminal C = C double bonds of hyperbranched macromers can participate in UV cross-linking. Thus, such macromers may be used as potential additives for high-performance UV curable coatings.

Two‐Dimensional Layered Hydroxide Materials for Nucleophile Oxidation

AbstractThe global energy crisis highlights the need to transition from fossil fuels to sustainable, renewable sources of energy. Green hydrogen produced via renewable energy‐driven water electrolysis is an emerging alternative due to its zero emissions and high energy density. To address the high energy consumption of water electrolysis, innovative hybrid electrolyzers integrating nucleophile oxidation reactions (NOR) are under activity investigation, reducing energy demands and enabling valuable product synthesis and waste treatment, thereby enhancing the efficiency and economic viability of hydrogen production via electrocatalytic technologies. Recent advancements in layered hydroxide materials (LHMs) have markedly improved the efficiency of alkaline electrochemical conversion processes and are gaining prominence in NORs due to their expansive surface areas and tailorable characteristics through diverse engineering strategies. Further, their layered architecture is readily conducive to in‐situ characterization, using techniques like XAS, XRD, Raman, and IR spectroscopy, providing insights into their anodic NOR mechanisms. This review summarizes the latest developments in LHMs as electrocatalysts for NOR, discusses current design strategies of LHMs, and emphasizes the significance of operando characterization techniques in elucidating the reaction mechanisms of different LHMs. Finally, the future challenges and potential advancements in their scale‐up application in electrocatalytic NOR are put forward.

Enabling nucleophilic reactivity in molecular calcium fluoride complexes

Calcium fluoride is the ultimate source of all fluorochemicals. Current synthetic approaches rely on the use of HF, generated from naturally occurring fluorspar and sulfuric acid. Methods for constructing E–F bonds directly from CaF2 have long been frustrated by its high lattice energy, low solubility and impaired fluoride ion nucleophilicity. Little fundamental understanding of the reactivity of Ca–F moieties is available to guide methodology development; well-defined molecular species containing Ca–F bonds are extremely rare, and existing examples are strongly aggregated and evidence no nucleophilic fluoride delivery. Here, by contrast, we show that by targeting anionic systems of the type [Ln(X)2CaF]−, monomeric calcium fluoride complexes containing single Ca–F bonds can be synthesized, including via routes involving fluoride abstraction from existing C–F bonds. Comparative structural and spectroscopic studies of mono- and dinuclear systems allow us to define structure–activity relationships for E–F bond formation from molecular calcium fluorides.

Simultaneous Stereoinvertive and Stereoselective C(sp3)-C(sp3) Cross-Coupling of Boronic Esters and Allylic Carbonates.

With increasing interest in constructing more three-dimensional entities, there has been growing interest in cross-coupling reactions that forge C(sp3)-C(sp3) bonds, which leads to additional challenges as it is not just a more difficult bond to construct but issues of stereocontrol also arise. Herein, we report the stereocontrolled cross-coupling of enantioenriched boronic esters with racemic allylic carbonates enabled by iridium catalysis, leading to the formation of C(sp3)-C(sp3) bonds with single or vicinal stereogenic centers. The method shows broad substrate scope, enabling primary, secondary, and even tertiary boronic esters to be employed, and can be used to prepare any of the four possible stereoisomers of a coupled product with vicinal chiral centers. The new method, which combines the simultaneous enantiospecific reaction of a chiral nucleophile with the enantioselective reaction of a chiral electrophile in a single process, offers a solution for stereodivergent cross-coupling of two C(sp3) fragments.

Redox- and Charge-State Dependent Trends in 5, 6, and 7-Membered Boron Heterocycles: A Neutral Ligand Coordination Chemistry Approach to Boracyclic Cations, Anions, and Radicals.

ConspectusBoron heterocycles represent an important subset of heteroatom-incorporated rings, attracting attention from organic, inorganic, and materials chemists. The empty pz orbital at the boron center makes them stand out as quintessential Lewis acidic molecules, also serving as a means to modulate electronic structure and photophysical properties in a facile manner. As boracycles are ripe for extensive functionalization, they are used in catalysis, chemical biology, materials science, and continue to be explored as chemical synthons for conjugated materials and reagents. Neutral boron(III)-incorporated polycyclic molecules are some of the most studied types of boracycles, and understanding their redox transformations is important for applications relying on electron transfer and charge transport. While relevant redox species can often be electrochemically observed, it remains challenging to isolate and characterize boracycles where the boron center and/or polycyclic skeleton have been chemically reduced.We describe our recent work isolating 5-, 6-, and 7-membered boracyclic radicals, anions, and cations, focusing on stabilization strategies, ligand-mediated bonding situations, and reactivity. We present a versatile neutral ligand coordination chemistry approach that permits the transformation of boracycles from potent electrophiles to powerful nucleophilic heterocycles that facilitate diverse electron transfer and bond activation chemistry. Although there are a wide range of suitable stabilizing ligands, we have employed both diamino-N-heterocyclic carbenes (NHCs) and cyclic(alkyl)(amino) carbenes (CAACs), which led to boracycles with tunable electronic structures and aromaticity trends. We highlight successful isolation of borafluorene radicals and demonstrate their reversible redox behavior, undergoing oxidation to the cation or reduction to the anion. The borafluorene anion is a chemical synthon that has been used to prepare boryl main-group and transition-metal bonds, luminescent oxabora-spirocycles, borafluorenate-crown ethers, and CO-releasing molecules via carbon dioxide activation. We expanded to 6-membered boracycles and characterized neutral bis(NHC-supported 9-boraphenanthrene)s and the corresponding bis(CAAC-stabilized 9-boraphenanthrene) biradical. We detail the interconvertible multiredox states of boraphenalene, where the boraphenalenyl radical, anion, and cation mimic the charge-states of the all-hydrocarbon analogue. Reactivity studies of the boraphenalenyl anion displayed unusual nucleophilic reactivity at multiple sites on the periphery of the boraphenalenyl tricyclic scaffold. Reduced borepins, 7-membered boron containing heterocycles, have also been isolated. We used a stepwise one-pot synthesis combining the halo-borepin precursor, CAAC, and KC8 to afford the monomeric borepin radicals and anions. The π-system was extended to contain two borepin rings fused in a pentacyclic scaffold, which permitted isolation of diborepin biradicals and a diborepin containing a dibora-quinone core.Our goal is to provide a guide explaining the current structure-function trends and isolation strategies for redox-active boron-incorporated polycyclic molecules to initiate the rational design and use of these types of compounds across a vast chemical space.

Esters-targeted colorimetric sensor array for the authenticity discrimination of strong-aroma baijiu with different origins

Baijiu authenticity has been a frequent problem driven by economic interests in recent years, so it is important to discriminate against baijiu with different origins. Herein, we proposed a simple and efficient esters-targeted colorimetric sensor array mediated by hydroxylamine hydrochloride. Esters undergo a nucleophilic addition reaction with hydroxylamine hydrochloride to form hydroxamic acid, which rapidly forms a purplish red ferric hydroxamate under FeCl3·6H2O. Bromophenol blue and rhodamine B enrich the color effects. The array detected 12 esters with a detection limit on the order of 10−5 of most esters and 16 mixed esters with R2 > 0.999 and recoveries close to 100%. Otherwise, for discriminating 34 strong-aroma baijius (SABs), the array has an accuracy of 98% according to the origin, and 95% according to the grades, with a response time of 1 min. This study provides a new strategy for authenticity determination and quality control of baijiu.