Reference of 90-15-3, New discoveries in chemical research and development in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 90-15-3, Name is 1-Naphthol, SMILES is OC1=C2C=CC=CC2=CC=C1, molecular formula is C10H8O, belongs to thiomorpholine compound. In an article, author is Michalska, Katarzyna, introduce new discover of the category.
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