1.
J Org Chem
; 89(8): 5298-5303, 2024 Apr 19.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38557038
RESUMO
During the synthesis of tofisopam drug substance, an interesting diastereospecific lithium variant of Oppenauer oxidation was observed and investigated by density functional theory (DFT) calculations. The computations revealed energetic differences caused by steric differences between the diastereomers that might provide an explanation for the experimentally formed products. In addition, the trend in the measured NMR shifts was also in line with the computed values, which allowed the assignment of the absolute configuration of the diastereomers.