区域定义的氮杂[5]氧杂和硫杂螺环芳烃：杂原子性质对螺旋形状和外消旋化势垒的显著影响。
Regio-defined amino[5]oxa- and thiahelicenes: a dramatic impact of the nature of the heteroatom on the helical shape and racemization barriers.
机构信息
Institut Lavoisier de Versailles, UMR CNRS 8180, Université de Versailles-Saint-Quentin-en-Yvelines, 45, Avenue des Etats-Unis, 78035 Versailles cedex, France.
出版信息
J Org Chem. 2010 Mar 19;75(6):2096-8. doi: 10.1021/jo1000127.
PMID:20151709
Abstract
The present approach to heterohelicenes provides original [5]oxa- and thiahelicenes, where both oxygen and sulfur atoms are located at the end of the inner helix. Quantum chemical calculations are carried out to determine the pathway for interconversion between two enantiomers and demonstrate that the energy barrier is strongly dependent on the nature of the heteroatom present on the helical shape.
摘要
目前的杂环并苯方法提供了原始的[5]氧杂和硫杂并苯，其中氧和硫原子都位于内螺旋的末端。进行量子化学计算以确定两种对映异构体之间的互变途径，并证明能垒强烈依赖于螺旋形状上存在的杂原子的性质。
Zotero 插件