3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?

En:

Molecules 2000;5(3):445-446

Fecha:

2000

Formato:

application/pdf

Tipo de documento:

info:eu-repo/semantics/article
info:ar-repo/semantics/artículo
info:eu-repo/semantics/publishedVersion

Descriptores:

thiourea derivative -  alkylation -  conference paper -  crystal structure -  mathematical analysis -  quantum chemistry -  stereochemistry -  X ray diffraction

Descripción:

We report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthiour eas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the basis of the localization of the HOMO mainly over the sulfur atom.
Fil:Burton, G. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.

Identificador(es):

http://hdl.handle.net/20.500.12110/paper_14203049_v5_n3_p445_Sosa

Derechos:

info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar