HYDRO-5,5-DIMETHYL-3-OXO-3H-1,2,4-TRIAZOLE-1-OXIDE - THE UNPREDICTED AZOXY-REGIOISOMER

Authors
SCHANTL JG SVETLIK J KETTMANN V
Citation
Jg. Schantl et al., HYDRO-5,5-DIMETHYL-3-OXO-3H-1,2,4-TRIAZOLE-1-OXIDE - THE UNPREDICTED AZOXY-REGIOISOMER, Monatshefte fuer Chemie, 125(12), 1994, pp. 1383-1387
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Monatshefte fuer Chemie → ACNP
ISSN journal
00269247
Volume
125
Issue
12
Year of publication
1994
Pages
1383 - 1387
Database
ISI
SICI code
0026-9247(1994)125:12<1383:H-TUA>2.0.ZU;2-S
Abstract
4,5-Dihydro-5,5-dimethyl-3-oxo-3H-1,2,4-triazole (1) is converted to t he title azoxy compound 4 by peroxytrifluoroacetic acid. The structure assignment of 4 is based on an X-ray analysis. Ab initio calculations were employed to rationalize the reaction path leading to the triazol e-1-oxide 4 and not to the expected regioisomer triazole-2-oxide 3.