ON THE ATTEMPTED SYNTHESIS OF 3-BETA-HYDROXY-7-BETA-KEMP-8(9)-EN-6-ONE

被引：6
|
作者：
TABER, DF
机构：
[1] Department of Chemistry and Biochemistry, University of Delaware, Newark
来源：
TETRAHEDRON LETTERS | 1993年 / 34卷 / 12期
基金：
美国国家卫生研究院;
关键词：
calculations; equilibrating; molecular mechanics; MOPAC; reversible; semi-empirical;
D O I：
10.1016/S0040-4039(00)91953-1
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Ketone 2 was predicted by molecular mechanics calculations to be more stable than the conjugated ketone 1 by 1.9 kcal/mol. An attempted total synthesis of 2 failed when the projected equilibration of 1 to 2 was not successful. In fact, semi-empirical calculations (MOPAC AM1) suggest that 1 is more stable than 2 by 1.6 kcal/mol.
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页码：1883 / 1884
页数：2
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