Dimethoxyphenethylamine Research Articles

Crystal structure, spectroscopic, quantum chemical and Hirshfeld surface analysis of [2–(3, 4–Dimethoxy–phenyl)–ethyl]–(4–nitro–benzylidene)–amine: A combined experimental and theoretical study

• Single crystal structure of a new Schiff base compound is reported. • Hirshfeld surface analysis and MESP energy calculation analyzed. • HOMO and LUMO levels are illustrated by DOS spectrum. • The energy gap is identified by OLED's using UV–Vis spectrum. Pharmacologically active Schiff's name compound base, C 17 H 18 N 2 O 4 , was synthesized 3,4–dimethoxy phenethylamine and p –nitrobenzaldehyde. The compound was crystallized in the triclinic system, in the space group P 1 ¯ . Crystal lattice parameters were confirmed by single crystal X-ray diffraction. The crystal structure is stabilized by two weak intermolecular C8—H8B•••O2 and C13—H8C•••O2 hydrogen bonds. Crystal structure offers comprehensive details on non-covalent interactions in 2DPENBA. The optimized geometrical parameters have been carried out by HF and DFT methods and compared with the experimental XRD values. The experimental FT- IR and FT – Raman vibrational frequencies are analysed and compared with theoretically predicted vibrational frequencies. The intermolecular interactions have been quantified using Hirshfeld surface analysis and quantum chemical calculations are studied extensively. The absorption and transmittance spectra were obtained for UV–visible–NIR spectroscopy analysis. The optical band gap was determined using the transmission data.

Abnormal methionine metabolism in schizophrenic and depressive states: A preliminary report

IT HAS been proposed that schizophrenia is a consequence of metabolic abnormalities associated with endogenous production of psychotogenic compounds. The original hypothesisi noted the chemical similarity between adrenaline and mescaline, and postulated an abnormal methylation of adrenaline as the source of the psychotoxin. Since then, methylation processes have been implicated by a number of studies: the controversial finding of dimethoxyphenethylamine (DMPEA) in the urine of schizophrenics;2 the similarity of many psychotomimetic compounds to known methylated metabolites of norepinephrine;s the differential metabolism of the methoxyl groups of DMPEA;4 the claimed improvement of schizophrenics after administration of the methyl acceptor nicotinamide;s and exacerbation of the disease by administration of the methyl donor methionine.617 The involvement of aromatic amines in affective disorders has recently been reviewed,8 although methylation reactions have not been strongly implicated. Since the major methyl donor for methylation processes within the body is methionine, we decided to study an aspect of the metabolism of the S-methyl moiety of this compound in patients with schizophrenic and affective disorders.