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- W3021628296 abstract "Abstract 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." @default.
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- W3021628296 date "2020-10-01" @default.
- W3021628296 modified "2023-09-25" @default.
- W3021628296 title "Spectroscopic identification of intermediates and final products of the chiral pool synthesis of sutezolid" @default.
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- W3021628296 doi "https://doi.org/10.1016/j.molstruc.2020.128396" @default.
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