CONFORMATION AND INTERNAL MOBILITY OF 5H-DIBENZO[A,D]CYCLOHEPTENE DERIVATIVES IN SOLUTION - CONFORMATIONAL-ANALYSIS OF HIGHLY FLEXIBLE STRUCTURES .2.

被引：3
|
作者：
WEISSENSTEINER, W
机构：
[1] Institut für Organische Chemie, Universität Wien, Wien
来源：
MONATSHEFTE FUR CHEMIE | 1992年 / 123卷 / 8-9期
关键词：
CONFORMATIONAL ANALYSIS; EMPIRICAL FORCE FIELD METHOD; TRICYCLIC ANTIDEPRESSANT DRUGS; LANTHANIDE INDUCED SHIFT METHOD;
D O I：
10.1007/BF00812328
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The conformational possibilities of 5-(3'-N,N-dimethylaminopropyl)-5 H-dibenzo[a,d]-cycloheptene (1), 5-(3'-N,N-dimethylaminopropylidene)-10,11-dihydro-5 H-dibenzo[a,d]cycloheptene (2), and 5-(3'-N,N-dimethylaminopropyl)-10,11-dihydro-5 H-dibenzo[a,d]cycloheptene (3) are analysed using empirical force field methods. Minimum energy conformations, interconversion pathways, interconversion graphs and interconversion energies are examined in view of the analysis of conformer equilibria of 1, 2, or 3 in solution. In addition, some basic requirements of the analysis of fast interconverting conformers using the lanthanide induced shift method are discussed.
引用
收藏
页码：785 / 800
页数：16
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