Theory of asymmetric organocatalysis of aldol and related reactions: Rationalizations and predictions

Christophe Allemann, Ruth Gordillo, Fernando R. Clemente, Paul Ha Yeon Cheong, K. N. Houk

Research output: Contribution to journalArticle

426 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)558-569
Number of pages12
JournalAccounts of Chemical Research
Volume37
Issue number8
DOIs
StatePublished - Aug 1 2004

ASJC Scopus subject areas

  • Chemistry(all)

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