Reaction of nitrones with silyl ketene acetals: a DFT study |
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Authors: | Milet Anne Gimbert Yves Greene Andrew E |
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Affiliation: | Chimie Recherche (LEDSS), Université Joseph Fourier, BP53, 38041 Grenoble, France. |
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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. |
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Keywords: | nitrones silyl ketene acetals |
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