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Reaction of nitrones with silyl ketene acetals: a DFT study
Authors:Milet Anne  Gimbert Yves  Greene Andrew E
Institution:Chimie Recherche (LEDSS), Université Joseph Fourier, BP53, 38041 Grenoble, France.
Abstract:Theoretical calculations at the DFT level indicate that the reaction of a nitrone with a silyl ketene acetal proceeds, contrary to previous suggestions, through a classical 1,3-dipolar cycloaddition, followed by a silyl group transfer step to give the open-chain product. Introduction of a diffuse basis set is necessary to describe properly nitrones. The influence of a Lewis acid has been studied.
Keywords:nitrones  silyl ketene acetals
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