A theoretical study of the mechanism of phosphine-catalyzed hydroalkoxylation of methyl vinyl ketone

Authors :: Xin Wang
Shuhua Li
Yuansheng Jiang
Source :: Journal of Physical Chemistry A. Dec 1, 2005, Vol. 109 Issue 47, p10770, 6 p.
Publication Year :: 2005
Abstract: The second-order Moller-Plesset perturbation theory and the conductor-like polarized continuum model investigating the mechanism of phosphine-catalyzed hydroalkoxylation of the methyl vinyl ketone, is presented. Results showed generation of the base in the first stage of the reaction and hydroalkoxylation of the methyl vinyl ketone catalyzed by the base in the second stage.

Subjects :: Methyl groups -- Structure
Methyl groups -- Chemical properties
Ketones -- Structure
Ketones -- Chemical properties
Chemicals, plastics and rubber industries

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