1.
J Org Chem
; 68(2): 572-7, 2003 Jan 24.
Artigo
em Inglês
| MEDLINE
| ID: mdl-12530884
RESUMO
The relative energies of the chair and boat transition states of a variety of Ireland-Claisen rearrangements were obtained by B3LYP/6-31G calculations. Theoretical results are in good agreement with experimental data and provide a quantitative analysis of the origins of boat preferences that are observed in some of these reactions.