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 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.
Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA.
Christophe
C
Allemann
Ruth
R
Gordillo
Fernando R
FR
Clemente
Paul Ha-Yeon
PH
Cheong
K N
KN
Houk