AM1 study of Wolff and 1,2-hydrogen shift rearrangements of beta-oxy-alpha-Diazo carbonyl compounds

被引：5

作者：

Enriquez, F ^{[1
]}

LopezHerrera, FJ ^{[1
]}

Quirante, JJ ^{[1
]}

Sarabia, F ^{[1
]}

机构：

[1] FAC CIENCIAS,DEPT BIOQUIM BIOL MOL & QUIM ORGAN,E-29071 MALAGA,SPAIN

来源：

THEORETICA CHIMICA ACTA | 1996年 / 94卷 / 01期

关键词：

AM1; Wolff Rearrangement; beta-Oxy-alpha-Diazo carbonyl compounds;

D O I：

10.1007/BF00190152

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The study of several thermal processes involved in the beta-oxy-alpha-diazo carbonyl compounds chemistry at the AM1 semiempirical level is reported. Principally, our study focussed on competitive Wolff and 1,2-hydride rearrangement reactions involving nitrogen elimination that a particular type of beta-oxy-alpha-diazo carbonyl compounds (see scheme 1) can undergo under certain conditions. The AM1 results provide a reasonable description of the energy-related and structural aspects involved in the elementary processes considered.

引用

页码：13 / 22

页数：10

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