Theory of Asymmetric Organocatalysis of Aldol and Related Reactions:  Rationalizations and Predictions

Computational studies have led to models to understand some classic and contemporary asymmetric reactions involving organocatalysts. The Hajos−Parrish−Eder−Sauer−Wiechert reaction and intermolecular aldol reactions as well as Mannich reactions and oxyaminations catalyzed by proline and other amino a...

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Bibliographic Details
Published in:Accounts of chemical research 2004-08, Vol.37 (8), p.558-569
Main Authors: Allemann, Christophe, Gordillo, Ruth, Clemente, Fernando R, Cheong, Paul Ha-Yeon, Houk, K. N
Format: Article
Language:English
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Summary:Computational studies have led to models to understand some classic and contemporary asymmetric reactions involving organocatalysts. The Hajos−Parrish−Eder−Sauer−Wiechert reaction and intermolecular aldol reactions as well as Mannich reactions and oxyaminations catalyzed by proline and other amino acids, and Diels−Alder reactions catalyzed by MacMillan's chiral amine organocatalysts have been studied with density functional theory. Quantitative predictions for several new catalysts and reactions are provided.
ISSN:0001-4842
1520-4898
DOI:10.1021/ar0300524