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. 2004 Aug;37(8):558-69.
doi: 10.1021/ar0300524.

Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions

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Theory of asymmetric organocatalysis of Aldol and related reactions: rationalizations and predictions

Christophe Allemann et al. Acc Chem Res. 2004 Aug.

Abstract

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.

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