| Literature DB >> 20634993 |
Christophe Allemann1, Joann M Um, K N Houk.
Abstract
Computational investigation of the aldol reaction of benzaldehyde with acetone catalyzed by various proline derivatives and 2-azetidine carboxylic acid reveal the origins of stereoselectivities of these reactions. Structural differences between catalysts and transition states were analyzed with density functional theory geometries in order to establish the key factors that will help in the design of new catalysts.Entities:
Year: 2010 PMID： 20634993 PMCID： PMC2902180 DOI： 10.1016/j.molcata.2010.03.020
Source DB: PubMed Journal: J Mol Catal A Chem ISSN： 1381-1169