An Experimental and Theoretical Study of Intramolecular Cyclization of Phosphorylated Thioureas

Autor:	A. N. Pudovik, V. V. Zverev, Igor A. Litvinov, Nail M. Azancheev, R. Kh. Bagautdinova, M. A. Pudovik, N. A. Khailova, G. A. Chmutova, Olga N. Kataeva
Rok vydání:	2005
Předmět:	chemistry.chemical_classification Steric effects Base (chemistry) Stereochemistry Intramolecular cyclization Ab initio General Chemistry Electronic structure Catalysis Ion chemistry.chemical_compound chemistry Thiourea Computational chemistry
Zdroj:	Russian Journal of General Chemistry. 75:359-369
ISSN:	1608-3350 1070-3632
DOI:	10.1007/s11176-005-0232-z
Popis:	New 1,3,2-thiazaphospholines were prepared, and their steric and electronic structures were examined. The steric and electronic structure of N-[(O-methyl)chloromethylthiophosphoryl]thiourea and the pathways of their intramolecular cyclization and rearrangement were studied by ab initio and semiempirical methods. The influence exerted by the conformational factors in thiourea and in the anion formed from it under the conditions of base catalysis on the direction of the reactions involving these species was revealed, and the structure of intermediate complexes and the final products was determined.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5dd2e707eb705a478e39aec14b973deb https://doi.org/10.1007/s11176-005-0232-z Zobrazit plný text záznamu Plný text ve formátu PDF