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Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: A theoretical study
Auteur(s)
Khaledy, Mahmood
Kalani, Mohammad
Khuong, Kelli
Houk, K. N
Aviyente, Viktorya
Soldermann, Nicolas
Velker, Joerg
Date de parution
2003
In
Journal of Organic Chemistry
Vol.
2
No
68
De la page
572
A la page
577
Résumé
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.
Identifiants
Type de publication
Resource Types::text::journal::journal article
