4,5-dihydro-5,5-dimethyl-3-oxo-3H-1,2,4-triazole-1-oxide. The unpredicted azoxy-regioisomer

Autor:	J. G. Schantl, Jan Svetlik, Viktor Kettmann
Rok vydání:	1994
Předmět:	Azoxy chemistry.chemical_compound chemistry Computational chemistry Structural isomer Oxide 1 2 4-Triazole General Chemistry Reaction path
Zdroj:	Monatshefte f�r Chemie Chemical Monthly. 125:1383-1387
ISSN:	1434-4475 0026-9247
DOI:	10.1007/bf00811087
Popis:	4,5-Dihydro-5,5-dimethyl-3-oxo-3H-1,2,4-triazole (1) is converted to the title azoxy compound4 by peroxytrifluoroacetic acid. The structure assignment of4 is based on an X-ray analysis.Ab initio calculations were employed to rationalize the reaction path leading to the triazole-1-oxide4 and not to the expected regioisomer triazole-2-oxide3.
Databáze:	OpenAIRE
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