Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study.
نویسندگان
چکیده
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.
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ورودعنوان ژورنال:
- The Journal of organic chemistry
دوره 68 2 شماره
صفحات -
تاریخ انتشار 2003