Reaction of nitrones with silyl ketene acetals : a DFT study

Copyright 2005 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 27(2006), 2 vom: 30. Jan., Seite 157-62
1. Verfasser: Milet, Anne (VerfasserIn)
Weitere Verfasser: Gimbert, Yves, Greene, Andrew E
Format: Aufsatz
Sprache:English
Veröffentlicht: 2006
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Acetals Ethylenes Ketones Nitrogen Oxides Organometallic Compounds Silanes nitrones ketene LEP3SM032A
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520 |a 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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