| Literature DB >> 15909353 |
Abstract
The quantum chemical method is employed to study the modified asymmetric allylation of benzaldehyde controlled by diisopropyl D-(-)-tartrate auxiliary. All the structures are optimized completely at the B3LYP/6-31G(d,p) level. The (R)-secondary alcohol can be achieved mainly through a six-membered ring chair-like transition state structure. From the relative reaction rates theory the main product configuration predicted is in agreement with the experiment result.Entities:
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Year: 2005 PMID： 15909353 PMCID： PMC1389899 DOI： 10.1631/jzus.2005.B0606
Source DB: PubMed Journal: J Zhejiang Univ Sci B ISSN： 1673-1581 Impact factor: 3.066