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Updated: Apr 28, 2026

One-pot Microwave-assisted Conversion of Anomeric Nitrate-esters to Trichloroacetimidates
Published on: January 15, 2018
Theoretical study of methyl group transfer assisted by proton transfer reaction in the N-acylated imidates
Rezika Larabi1, Soraya Abtouche, Meziane Brahimi
1Laboratoire de Physico Chimie Théorique et de Chimie Informatique, Faculté de Chimie, USTHB, BP N 32 Al-Alia, Alger, Algeria.
Abstract:
The single methyl group transfer (MGT), double MGT and single MGT assisted by proton transfer (PT) that occurs in small biological systems N-methoxy methylene formamide and N-hydroxy methylen formamide (NMMF-NHMF) have been investigated completely in the present study using density functional theory (DFT) and Möller-Plesset perturbation (MP2) methods with a 6-31G(d) basis set. The barrier height for MGT assisted by PT is significantly lower than those of the single and double MGT. Polar solvents decrease the energy barriers.
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