TY - JOUR
T1 - Theory of asymmetric organocatalysis of aldol and related reactions
T2 - Rationalizations and predictions
AU - Allemann, Christophe
AU - Gordillo, Ruth
AU - Clemente, Fernando R.
AU - Cheong, Paul Ha Yeon
AU - Houk, K. N.
PY - 2004/8
Y1 - 2004/8
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=4143104623&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=4143104623&partnerID=8YFLogxK
U2 - 10.1021/ar0300524
DO - 10.1021/ar0300524
M3 - Article
C2 - 15311955
AN - SCOPUS:4143104623
SN - 0001-4842
VL - 37
SP - 558
EP - 569
JO - Accounts of Chemical Research
JF - Accounts of Chemical Research
IS - 8
ER -