Sustainable Synthesis Research Articles

Lipase Enzymes for Sustainable Synthesis of Pharmaceuticals and Chiral Organic Building Blocks

AbstractBiocatalysis is a green and sustainable process for synthesizing chiral organic building blocks and active pharmaceutical ingredients (API). United Nations' Sustainable Development Goals 2030 advocates using green, sustainable, recyclable chemicals by industries to reduce environmental pollution. Pharmaceutical companies are adopting biocatalysis technologies for manufacturing chiral active pharmaceutical ingredients. The lipase‐catalyzed kinetic and dynamic‐kinetic resolution method is a pharmaceutically accepted process for manufacturing chiral API. This review describes the reported methods for synthesizing chiral API/KSM (Key Starting Material) molecules using lipase enzymes over the last ten years.

A Rapid, Greener, and Sustainable Synthesis of N-Acylhydrazones of Isoniazid in a Deep-Eutectic Solvent

AbstractThis study introduces an efficient, environmentally friendly, and sustainable method for synthesizing N-acylhydrazone analogues by engaging isoniazid in a condensation reaction with variously substituted benzaldehydes. The deep-eutectic solvent (ZnCl2/urea) employed in this study acted not only as a solvent but also as a catalyst to facilitate the synthesis of the target compounds within two to six minutes without the requirement of any lengthy purification techniques. The synthetic protocol is operationally simple and offers other remarkable advantages such as a short reaction time, good to excellent yields, a scalable protocol, and a recyclable and reusable catalyst. Additionally, green metrics calculations suggest the present method to be environmentally benign. Finally, the frontier molecular orbitals and the global reactivity parameters of the synthesized compounds were predicted by using density functional theory calculations.

Poly(ADP-Ribose) Polymerase (PARP) Inhibitors for Cancer Therapy: Advances, Challenges, and Future Directions.

Poly(ADP-ribose) polymerases (PARPs) are crucial nuclear proteins that play important roles in various cellular processes, including DNA repair, gene transcription, and cell death. Among the 17 identified PARP family members, PARP1 is the most abundant enzyme, with approximately 1-2 million molecules per cell, acting primarily as a DNA damage sensor. It has become a promising biological target for anticancer drug studies. Enhanced PARP expression is present in several types of tumors, such as melanomas, lung cancers, and breast tumors, correlating with low survival outcomes and resistance to treatment. PARP inhibitors, especially newly developed third-generation inhibitors currently undergoing Phase II clinical trials, have shown efficacy as anticancer agents both as single drugs and as sensitizers for chemo- and radiotherapy. This review explores the properties, characteristics, and challenges of PARP inhibitors, discussing their development from first-generation to third-generation compounds, more sustainable synthesis methods for discovery of new anti-cancer agents, their mechanisms of therapeutic action, and their potential for targeting additional biological targets beyond the catalytic active site of PARP proteins. Perspectives on green chemistry methods in the synthesis of new anticancer agents are also discussed.

Bioinspired synthesis of ZrO2‐Zr3Er4O12‐based mixed nanomaterial; characterization and analyzing its potential as an electrode material in energy‐based devices and its electrocatalytic property

AbstractThe sustainable and ecofriendly synthesis of transition metal oxide‐based nanomaterials has always been a matter of concern. In this study, a bioinspired synthesis route was adopted to synthesize ZrO2‐Zr3Er4O12‐based mixed nanomaterial using leaf extract of medicinal plant Amaranthus viridis as reducing and stabilizing agent in replacement of the obnoxious chemicals which are a great threat to the sustainable environment. The synthesized material revealed the spherical shaped morphology through scanning electron microscopy, whereas crystal size of 15.7 nm was observed through Xray‐diffraction, and band gap value of 2.7 eV was acquired using Tauc plot. Newly synthesized ZrO2‐Zr3Er4O12 nanocomposite was then investigated for its role as electrocatalyst in a generation of energy through the hydrogen evolution reaction and oxygen evolution reaction. The ZrO2‐Zr3Er4O12‐based electrocatalyst showed better potential for hydrogen evolution reaction measurements with the overpotential value of 242 mV. Furthermore, the notable capacitance value of 495.6 F/g was obtained through cyclic voltammetry for energy storage studies. The cyclic stability was also analyzed using linear sweep voltammetry and results showed promising stability for 2000 cycles. Consequently, the green and economical synthesis route as well as promising electrochemical behavior of ZrO2‐Zr3Er4O12‐based electrode make it feasible choice for large scale application.

Principles of designing electrocatalysts to boost C–N coupling reactions for urea synthesis

AbstractThe electrocatalytic C–N coupling reaction can achieve green and sustainable urea synthesis as well as CO2 conversion and nitrogen fixation. However, the electrocatalytic C–N coupling reaction still faces challenges such as difficult adsorption and activation of reactive species, a large number of reactive intermediates, high reaction energy barriers, and inert reactive kinetics, resulting in the low urea yielding rate and Faradic efficiency. The development of efficient catalysts is key to improve the urea yielding rate and Faradic efficiency. This review covers the development history and basic principles of electrocatalytic C–N coupling for urea production, analyzes the nanostructure–catalytic activity relationship as well as the electronic structure–catalytic activity relationship, and discusses the main reaction mechanism of electrocatalytic C–N coupling for urea production. Based on these analyses, the concept of designing efficient C–N coupling catalysts is derived. Finally, the research status of electrocatalytic C–N coupling for urea synthesis is summarized, and the prospect for developing efficient electrocatalysts and C–N coupling mechanism are proposed.

RuII-Catalyzed C-H Activated Diverse Cyclization with Transformation of Substrate-DG to Functional Groups: Synthesis of Functionalized Indoles and Indenones.

We present an elegant and efficient method for Ru(II)-catalyzed C-H activation, followed by a diverse range of intermolecular cross-dehydrogenative coupling reactions. This process is facilitated by an intrinsic directing group (DG) and includes the in situ transformation of the DG into common and useful functional groups. Notably, this method avoids the installation and deinstallation of the directing group. Our approach enables the selective functionalization of benzimidate, coupled with the cyclization of o-alkynyl-aniline, resulting in the high-yield synthesis of diverse compounds such as indoles, and indenones. The sequential formation of C-N, C-C, and C-O bonds, followed by hydrolysis, underscores the versatile in situ transformation of the directing group. This work not only broadens the synthetic toolbox for constructing complex heterocyclic structures but also highlights the potential for sustainable and selective synthesis of valuable compounds.

TBD-Mediated Diastereoselective Access to Functionalized 3-Alkenyl-2-oxindoles via the Tandem Reaction of Isatins and Allenoates.

The 1,5,7-triazabicyclo[4.4.0]dec-5-ene-mediated tandem reaction of easily accessible isatins and allenoates to functionalized 3-alkenyl-2-oxindoles is disclosed. The reaction allows the synthesis of a wide range of 3-alkenyl-2-oxindoles in good yields with excellent functional group tolerance under mild reaction conditions (32 examples, up to 84% yields). The current strategy will provide a novel path for the sustainable synthesis of functionalized 3-alkenyl-2-oxindole derivatives. We have also demonstrated the significance of 3-alkenyl-2-oxindoles as key starting materials (KSMs) via their synthetic utility in producing oxindole-appended pyrazole, oxazole, and coumarin hybrids of medicinal relevance.

Electrochemical deconstructive functionalization of arylcycloalkanes via fragmentation of anodically generated aromatic radical cations.

This highlight summarises electrochemical approaches for the deconstructive functionalization of arylcycloalkanes via the fragmentation of anodically generated aromatic radical cations. A diverse range of deconstructive functionalization processes is described, including discussion on the electrochemical reaction conditions employed, scope and limitations, and reaction mechanisms, in addition to highlighting future opportunities in this burgeoning area of sustainable synthesis.

Rational Design of Highly Porous Donor-Acceptor Based Conjugated Microporous Polymer for Photocatalytic Benzylamine Coupling Reaction.

Conjugated microporous polymers (CMPs) are an important class of organic materials with several useful features like, inherent nanoscale porosity, large specific surface area and semiconducting properties, which are very demanding for various sustainable applications. Carbazole building blocks are extensively used in designing photocatalysts due to easy electron donation and hole transportation. In the current study, a new CMP material CBZ-CMP containing carbazole unit used for photocatalytic C═N coupling reaction under blue light irradiation is designed. The CBZ-CMP framework is made through the polycondensation of 4,4'-di(9H-carbazol-9-yl)-1,1'-biphenyl using FeCl3 as a catalyst. The CBZ-CMP shows very high BET surface area of 1536 m2 g-1 together with unimodal porosity (ca. 1.7nm supermicropore), nanowire-like particle morphology (16-18nm diameter), and low band gap property. The bi-phenyl moiety functions as the electron accepting center and the carbazole unit acts as the donor center, which accounts for the low band gap energy of CBZ-CMP. This nanoporous semiconducting CBZ-CMP material for photocatalytic benzylamine coupling reaction is explored, where it shows good conversion together with high selectivity under mild reaction conditions. This study offers simple method of preparation of a D-A-D-based porous photocatalyst for sustainable synthesis of value-added organics.

Efficient Synthesis of Hydrobenzoin through NHC Catalysis: A Sustainable Approach for C−C Bond Formation

AbstractA facile and practical one‐pot synthesis of hydrobenzoin has been developed from the readily available aromatic aldehydes, under NHC catalysis. Basically, the present research elucidates a novel, sustainable approach for the synthesis of hydrobenzoin, capitalizing on the catalytic prowess of N‐heterocyclic carbene (NHC) and utilizing sodium borohydride (NaBH4) as an effective reducing partner in this one‐pot conversion. By harnessing the unique reactivity of NHCs, this methodology enables the efficient formation of C−C bonds, leading to the streamlined synthesis of hydrobenzoin with high yields while tolerating various functional groups. Furthermore, this catalytic system offers notable advantages in terms of atom economy, mild reaction conditions, and operational simplicity, making it a promising strategy for sustainable chemical synthesis. The detailed mechanistic insights provided herein shed light on the underlying catalytic pathways, facilitating a deeper understanding of the reaction mechanism. Overall, this study underscores the significant potential of NHC catalysis as a versatile tool for the sustainable synthesis of valuable organic compounds, thereby contributing to the advancement of green chemistry principles and the pursuit of environmentally benign chemical processes.

Sustainable synthesis and dual adsorption of methyl orange and cadmium ions using biogenic silica-based fibrous silica functionalized with crown ether ionic liquid

In pursuit of sustainable nanomaterial production, this study presents a novel biogenic fibrous silica sphere functionalized with a crown ether ionic liquid for advanced dual-adsorption of methyl orange and Cd(II) from aqueous solutions. Sorghum waste serves as the silica source in the adsorbent preparation process, ensuring an eco-friendly approach. The benzo-15-crown-5 ionic liquid is coupled to thiol-functionalized fibrous silica spheres through an efficient thiol-ene click reaction. Under constant conditions (temperature: 298 K, solution volume = 50 mL, adsorbent dosage = 5 mg, pH = 7, shaking speed = 200 rpm), the synthesized material demonstrates maximum adsorption capacities of 507.1 mg/g and 306.3 mg/g for methyl orange and Cd(II), respectively, according to the Langmuir model. Thermodynamic investigations reveal endothermic adsorption for methyl orange with an enthalpy change of −77.49 KJ mol−1, while exothermic adsorption is observed for Cd(II) with an enthalpy of +24.10 KJ mol−1. The entropy change of adsorption is −0.153 KJ mol−1 K−1 for methyl orange, indicating a more ordered state, and + 0.192 KJ mol−1 K−1 for Cd(II), suggesting increased disorder. The change in Gibbs free energy ranges from −32.66 to −29.60 KJ mol−1 for methyl orange and −32.29 to −35.99 KJ mol−1 for Cd(II), demonstrating that both adsorption processes are spontaneous. These results indicate that the adsorbent has potential as a dual-adsorption material for water remediation applications.

Marine-derived magnetic nanocatalyst in sustainable ultrasound-assisted synthesis of 2,3-diphenyl-2,3-Dihydroquinazolin-4(1H)-One derivatives

This research presents a sustainable approach to fabricate iron oxide nanoparticles by employing phytochemicals derived from marine grass extract as both reducing and stabilizing agents. Formation of magnetic nanoparticles (MNPs) initially confirmed by ultraviolet–visible spectroscopy (UV–vis) showing absorption peak at 370 nm. X-ray diffraction (XRD) and transmission electron microscopy (TEM) techniques unveiled magnetic iron oxide NPs with a rod shape, an average size of 21 nm, and an inverse spinel crystal structure. The participation of organic compounds in the production and stabilization of MNPs was evidenced through Fourier transform infrared (FTIR) spectroscopy and thermogravimetric analysis (TGA). A vibrating sample magnetometer (VSM) demonstrated the magnetic properties of iron oxide NPs showing a saturation magnetization value of 21.46 emu/g. The catalytic efficiency of these marine-assisted MNPs was evaluated in a one-pot three-component reaction involving isatoic anhydride, aromatic aldehydes, and amines under ultrasonic conditions. Under optimal conditions, a low dose of 1.5 mg of biobased magnetite nanoparticles yielded dihydroquinazolin-4(1H)-One products with up to 95 % efficiency in a brief duration of 15 min at an ultrasonic power intensity of 130 W. Different directing groups were investigated, and control experiments were carried out to enhance the understanding of the reaction mechanism. The obtained results highlight the synergistic effect of marine grass-mediated magnetic nanocatalysts combined with ultrasonic-assisted synthesis in developing sustainable green methodologies in organic synthesis.

Enabling Sustainable Ammonia Synthesis: From Nitrogen Activation Strategies to Emerging Materials.

Ammonia (NH3) is one of the most important precursors of various chemicals and fertilizers. Given that ammonia synthesis via the traditional Haber-Bosch process requires high temperatures and pressures, it is critical to explore effective strategies and catalysts for ammonia synthesis under mild reaction conditions. Although electrocatalysis and photocatalysis can convert N2 to NH3 under mild conditions, their efficiencies and production scales are still far from the requirements for industrialization. Thermal catalysis has been proven to be the most direct and effective approach for ammonia synthesis. Over the past few decades, significant efforts have been made to develop novel catalysts capable of nitrogen fixation and ammonia generation via thermal catalytic processes. In parallel with catalyst exploration, new strategies such as self-electron donation, hydride fixation, hydridic hydrogen reduction, and anionic vacancy promotion have also been explored to moderate the operating conditions and improve the catalytic efficiency of ammonia synthesis. In this review, the emergence of new materials and strategies for promoting N2 activation and NH3 formation during thermal catalysis is briefly summarized. Moreover, challenges and prospects are proposed for the future development of thermal catalytic ammonia synthesis.

Two-Dimensional MOF Constructed by a Binuclear-Copper Motif for High-Performance Electrocatalytic NO Reduction to NH3.

Ambient electrochemical NO reduction presents a dual solution for sustainable NO reduction and NH3 synthesis. However, their complex kinetics and energy demands necessitate high-performance electrocatalysts to ensure effective and selective process outcomes. Herein, we report that a two-dimensional Cu-based metal-organic framework (MOF), {[Cu(HL)]·H2O} n , (Cu-OUC, H3L = 5-(2'-carboxylphenoxy)isophthalic acid) acts as a stable electrocatalyst with high efficiency for NO-to-NH3 conversion. Electrochemical experimental studies showed that in 0.1 M K2SO4 solution, the as-prepared Cu-OUC achieved a peak Faradaic efficiency of 96.91% and a notable NH3 yield as high as 3415.82 μg h-1 mg-1. The Zn-NO battery in aqueous solution can produce electricity possessing a power density of 2.04 mW cm-2 while simultaneously achieving an NH3 yield of 616.92 μg h-1 mg-1. Theoretical calculations revealed that the surface of Cu-OUC effectively facilitates NO activation through a two-way charge transfer mechanism of "electron acceptance and donation", with the *NO formation step being the potential-determining stage. The study pioneers the use of a MOF as an electrocatalyst for ambient NO-to-NH3 conversion.

Utilizing RSM-CCD for optimizing the removal of Cr(VI) and tetracycline over a new recyclable Fe3O4/SiO2/ZIF-67 composite: Isotherms, kinetics, and mechanism

Pollution of water resources by a range of organic and inorganic non-degradable contaminants is becoming increasingly problematic. This study presents a novel Fe3O4/SiO2/ZIF-67 (FSZ) nanocomposite for removing tetracycline (TC) and hexavalent chromium (Cr6+). The synthesis began with the preparation of Fe3O4, SiO2, and ZIF-67 components. Following this, various loadings of the binary SiO2/ZIF-67 were prepared. Finally, the ternary FSZ adsorbents were synthesized by impregnating 1, 3, 5, 7, and 9 wt% of Fe3O4 nanoparticles (NPs) onto the optimized binary SiO2/ZIF-67 NPs. Characterization techniques such as SEM, TEM, BET, EDS, XRD, and XPS were performed. The removal efficiencies were optimized using the RSM-CCD, considering factors like composite dosage, reaction time, pH levels, and contaminants concentration. Optimal composite dosages of 0.69 g/L for TC and 1.68 g/L for Cr6+, pH values of 6.05 for TC and 6.06 for Cr6+, reaction times of 90 min for TC and 57 min for Cr6+, and contaminant concentrations of 25.47 mg/L for TC and 2683.2 ppb for Cr6+ were achieved. Removal rates of 98.53 % for TC and 97.45 % for Cr6+ were achieved under optimal conditions. Moreover, various kinetic and isothermal adsorption models were applied. The FSZ composite maintained high removal efficiencies for Cr6+ (81.14 %) and TC (79.82 %) after four cycles. Its performance was assessed in various water types, including deionized water, river water, and municipal wastewater. Additionally, the FSZ composite effectively removed other contaminants, achieving high efficiencies for cadmium (95.18 %), lithium (83.42 %), arsenic (88.29 %), sulfamethoxazole (87.38 %), doxycycline (96.15 %), and cefixime (81.97 %). Finally, the mechanisms responsible for the removal of TC and Cr6+ were evaluated. The sustainable synthesis of FSZ provides a valuable foundation for future studies focused on Cr6+ and TC removal, offering a potential solution to pressing environmental challenges.

Sustainable Synthesis of Novel Calcium Magnesium Nanoferrites for Biomolecules Sensing and its Antimicrobial Properties

AbstractSustainable synthesis of novel Calcium magnesium ferrite nanomaterial was carried out in this work using aloe vera plant extract as a fuel for the combustion method. Structural characterizations of the synthesized material shows the crystallite size∼ 14 nm with cubic structure and chemical bonds between Ca−O and Fe−O. Porous nature and agglomerated particles were observed in morphological analysis. Modified carbon paste, glassy carbon and screen printed electrodes were prepared using the synthesized nanomaterial for biomolecules sensing using cyclic voltammetry technique. Therefore, the present green synthesized CMF nanoparticles modified carbon paste electrode shows significantly high sensitivity and hence it can be used as a sensor for biomedical application. Employing the agar disc diffusion technique, the antimicrobial activity of the synthesized nanoparticles was ascertained. C against the pathogens like Pseudomonas spp., E coli, and Staphylococcus spp.

Solar-driven calcination of clays for sustainable zeolite production: CO2 capture performance at ambient conditions

This study presents the environmentally sustainable synthesis of zeolites from solar-calcined kaolin and halloysite, emphasizing their application in CO2 capture due to their distinctive porous structures and chemical attributes. Expanding upon prior research that utilized solar energy for kaolin calcination, we now explore halloysite as an alternative clay mineral for zeolite production and CO2 capture. Employing a solar simulator, halloysite was calcined at temperatures ranging from 700 to 1000 °C, resulting in the synthesis of zeolites 4A and 13X via hydrothermal methods. The synthesized zeolites were characterized using X-ray diffraction (XRD), low angle XRD (LA-XRD), transmission electron microscopy (TEM), and field-emission scanning electron microscopy (FE-SEM), and Brunauer–Emmett–Teller (BET) surface area measurements. Notably, the presence of Al-Si spinel, which crystallizes at elevated solar calcination temperatures, persisted within the zeolite 13X matrix, inducing a secondary mesoporous phase. The observed hysteresis in 13X samples, rather than confirming the mesoporous character of zeolite 13X, indicates a tandem effect of mesoporous Al-Si spinel with microporous zeolite 13X, exemplifying systems known as micro/mesoporous zeolitic composites (MZCs). The correlation obtained between the interplanar distances calculated from LA-XRD and pore size distributions acquired from the BJH desorption branches highlights LA-XRD as an alternative analysis method for assessing mesoporosity. While the microporosity of Al-Si spinel possessing 13X samples positively correlates with CO2 capture performance, mesoporosity appears to have minimal impact. Among the zeolites synthesized using solar energy, zeolite 4A (LTA) demonstrates superior CO2 capture capability, achieving an adsorption capacity of 2.15 mmol/g at 25 °C and 1 bar. This study highlights the potential of solar energy in producing eco-friendly zeolites from kaolin and halloysite for improved CO2 capture, advancing sustainable environmental solutions.

Synthesis of iron-loaded MFI-type (Fe/ZSM-5) zeolite using Philippine natural zeolites (PNZ) for potential adsorption and catalytic applications

Abstract Philippine natural zeolites (PNZ) are locally abundant aluminosilicates used in different applications such as filtration and purification. However, the presence of impurities limits their usability. Structure modification of PNZ into a new framework was conducted in the study to address this issue. This study used PNZ as a precursor in the sustainable synthesis of iron-loaded MFI-type (Fe/ZSM-5) zeolite, a synthetic zeolite extensively studied for its excellent catalytic activity and high adsorption capacity. PNZ was depolymerized into active silica and alumina, then recrystallized via hydrothermal synthesis. Ammonium iron citrate (AIC) and TPAOH were used as the iron source and structure-directing agent, respectively. The disappearance and appearance of FTIR peaks in the depolymerized PNZ spectra deduced the successful destruction of the initial zeolite framework of the PNZ. The synthesized material was characterized using FTIR, XRD, SEM-EDS, TGA, and BET analyses. FTIR showed the crystallinity peak of MFI-type zeolite, while XRD confirmed its successful synthesis. SEM images show hierarchical aggregated particles suggesting the presence of intercrystalline and intracrystalline mesopores. The BET surface area of the synthesized zeolite increased by 168% compared to the raw PNZ, and TGA results show its high thermal stability. EDS analysis confirmed the presence of iron in the sample.

Tangerine fruit peel extract mediated biogenic synthesized silver nanoparticles and their potential antimicrobial, antioxidant, and cytotoxic assessments

Abstract The utilization of plant bioactive composites has concerned substantial attention due to their possible use in the development of novel antibiotics, containing the environmentally sustainable synthesis of nanoparticles. In the current study, a green and eco-friendly process was employed to synthesize silver nanoparticles (Ag-NPs) and to evaluate their anti-bacterial, anti-oxidant, and anti-cancer potentials. The characterization of the Ag-NPs involved UV-vis spectroscopy, Fourier-transform infrared spectroscopy (FTIR), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and transmission electron microscopy (TEM). The UV-vis spectrum of Ag-NPs was 437 nm. The FTIR absorption peaks detected at 685.48 cm−1 confirmed their characteristics. The FESEM displayed that Ag-NPs have an average size of 30 nm. The TEM revealed that the Ag-NPs have an irregular spherical shape with 16 nm size distribution. The XRD results provided a strong indication that the green synthesized Ag-NPs was of high purity with crystalline nature. The anti-bacterial properties were investigated at different concentrations for both the ethanolic tangerine peel extract and Ag-NPs. The results of anti-bacterial activity showed that 100 µg·mL−1 was potent concentration, but the Ag-NPs were more effective than the ethanolic tangerine peel extract. For the ethanolic extract, the inhibition zone was 17.50 ± 0.20 mm for K. pneumoniae and 14.40 ± 0.20 mm for B. cereus. For the Ag-NPs, the inhibition zone was 25.50 mm for K. pneumoniae and 20.50 mm for B. cereus. Furthermore, the antioxidant examination revealed more potent free radical scavenging activity of the Ag-NPs than the ethanolic peel extract alone. The ethanolic extract ranged 46–77% while the Ag-NPs ranged 57–88%. Additionally, the anti-proliferative of the Ag-NPs against the lung cancer cell line (A549) was more potent than the ethanolic extract alone. The cytotoxic activity was 90.03% and 78.50%, respectively. The anti-proliferative effect of Ag-NPs is attributed to cell death, induced apoptosis, and enhanced generation of reactive oxygen species. Our findings highlight the potential and further utilization of Ag-NPs in medicinal applications particularly for cancer therapeutics.

Comprehensive techno-economic and environmental assessment for 2,3-butanediol production from bread waste

Bread waste (BW) is a common food waste in Europe and North America and has enormous potential as a biorefinery substrate for the sustainable synthesis of various platform chemicals. Our previous work made use of BW for the fermentative production of 2,3–butanediol (BDO). The present work evaluated the economic prospects and environmental consequences associated with the overall processes, handling 100 metric tons BW per day. The comprehensive process design using Aspen Plus and integrated techno-economic and environmental assessment was carried out for two different BW hydrolysis scenarios: acid and enzyme hydrolysis, followed by fermentation and extraction-based downstream BDO separation. The optimal heat exchanger network was designed using pinch analysis, which improved the energy efficiency of the process significantly, with about 10 % savings of BDO production costs. Despite this improvement, the BDO derived from BW was exorbitant (4.2–6.9 $/kg) compared to the market price (3.23 $/kg) due to relatively higher capital investment for the current plant capacity. Further, the process inventory was modelled in SimaPro v9.1.0 to estimate the environmental consequences of these production processes for impact categories, such as global warming (2.63 – 3.19 kg CO2 eq.), marine eutrophication (3.55 × 10-4 – 4.01 × 10-4 kg N eq.), terrestrial ecotoxicity (6.44 – 7.88 kg 1,4 − DCB), etc. Sensitivity and uncertainty analyses were also conducted to establish the reliability of the results. It was found that the enzyme hydrolysis was associated with lower environmental impacts than acid hydrolysis. This comprehensive study can be used as a guideline for developing sustainable BW-based biorefinery in the future.