AM1 STUDY OF WOLFF AND 1,2-HYDROGEN SHIFT REARRANGEMENTS OF BETA-OXY-ALPHA-DIAZO CARBONYL-COMPOUNDS

Authors
ENRIQUEZ F LOPEZHERRERA FJ QUIRANTE JJ SARABIA F
Citation
F. Enriquez et al., AM1 STUDY OF WOLFF AND 1,2-HYDROGEN SHIFT REARRANGEMENTS OF BETA-OXY-ALPHA-DIAZO CARBONYL-COMPOUNDS, Theoretica Chimica Acta, 94(1), 1996, pp. 13-22
Citations number
38
Categorie Soggetti
Chemistry Physical
Journal title
Theoretica Chimica Acta → ACNP
ISSN journal
00405744
Volume
94
Issue
1
Year of publication
1996
Pages
13 - 22
Database
ISI
SICI code
0040-5744(1996)94:1<13:ASOWA1>2.0.ZU;2-3
Abstract
The study of several thermal processes involved in the beta-oxy-alpha- diazo carbonyl compounds chemistry at the AM1 semiempirical level is r eported. 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 re asonable description of the energy-related and structural aspects invo lved in the elementary processes considered.