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.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2902180 | PMC |
| http://dx.doi.org/10.1016/j.molcata.2010.03.020 | DOI Listing |
Publication Analysis
Top Keywords
computational investigations
4
investigations stereoselectivities
4
stereoselectivities proline-related
4
proline-related catalysts
4
catalysts aldol
4
aldol reactions
4
reactions computational
4
computational investigation
4
investigation aldol
4
aldol reaction
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!