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