Theoretical Investigation of Enolborane Addition to α-Heteroatom-Substituted Aldehydes. Relevance of the Cornforth and Polar Felkin-Anh Models for Asymmetric Induction.

The addition of enolborane nucleophiles to chiral α-heteroatom-substituted aldehydes (CHCH-(X)CHO, X = F, Cl, OMe, SMe, NMe, and PMe) was investigated using density functional theory by means of B3LYP/6-31G(d) calculations, with particular emphasis on determining the relevance of the polar Felkin-An...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 128; no. 9; pp. 2920 - 2931
Main Authors:	Cee, Victor J., Cramer, Christopher J., Evans, David A.
Format:	Article
Published:	American Chemical Society 3/8/2006
Subjects:	Density functionals Aldehydes Asymmetric synthesis Chirality Functional analysis Organic compounds
Online Access:	View this record in EBSCOhost