Conformational effects of 1,5,9-substitution in symmetric bicyclo[3.3.1]nonane analogues

被引：2

作者：

Pisarev, Sergey A. ^{[1
]}

Palyulin, Vladimir A. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

来源：

MENDELEEV COMMUNICATIONS | 2021年 / 31卷 / 05期

关键词：

conformational behaviour; bicyclo[3; 3; 1]nonanes; conformational effects; HOMODESMOTIC REACTIONS; X-RAY; DIFFRACTION;

D O I：

10.1016/j.mencom.2021.09.007

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The high-level ab initio calculations on several derivatives of bicyclo[3.3.1]nonane, 1-aza-and 1,5-diazabicyclo[3.3.1]-nonanes show the 'double chair' (CC) conformer as optimal for all of them, dominating over the 'boat-chair' (BC) form. Conformational effects of several substitution types involving positions 1, 5 and 9 are quantified, and their values are found rather transferable.

引用

页码：612 / 614

页数：3

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