A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 93-03-8, Name is (3,4-Dimethoxyphenyl)methanol, molecular formula is C9H12O3. In an article, author is Michalska, Katarzyna,once mentioned of 93-03-8, COA of Formula: C9H12O3.
Spectroscopic identification of intermediates and final products of the chiral pool synthesis of sutezolid
Sutezolid is a new oxazolidinone derivative currently in clinical trials to determine its safety and efficacy towards highly drug-resistant tuberculosis. The aim of the study was the spectroscopic identification of selected key intermediate products of the chiral pool synthesis of sutezolid: (S1) (4-(2-fluoro-4-nitrophenyl)thiomorpholine), (S2) 4-[2-fluoro-4-(benzyloxycarbonyl)aminophenyl] thiomorpholine, (S4) (R)-[[3-[3-fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-p-toluenesulfonate, (S5) (R)-[[3-(3-fluoro-4-(4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]azide, as well as (S6) sutezolid, the final synthesis product. Spectroscopic identification was carried out based on infrared spectra analysis (FT-IR) and Raman scattering. This part of the analysis was supported by quantum chemical calculations based on the density functional theory (DFT) utilizing the B3LYP hybrid functional and the 6-31G(d,p) basis set to obtain reference standards for intermediates and sutezolid. Additionally, the sutezolid configuration was confirmed by analysing the electronic circular dichroism (ECD) spectra of (S)-and (R)-isomers, combined with the time-dependent DFT calculations to simulate ECD spectra depending on the solvent and type of conformers. (C) 2020 Elsevier B.V. All rights reserved.
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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem