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.
Documento: | Artículo |
Título: | 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation? |
Autor: | Sosa, M.; Piris, M.; Burton, G. |
Filiación: | Facultad de Química, Universidad de La Habana, Cuba Inst. Sup. de Cie. y Tecnol. Nucl., Cuba Depto. de Quimica Orgánica, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina |
Palabras clave: | thiourea derivative; alkylation; conference paper; crystal structure; mathematical analysis; quantum chemistry; stereochemistry; X ray diffraction |
Año: | 2000 |
Volumen: | 5 |
Número: | 3 |
Página de inicio: | 445 |
Página de fin: | 446 |
DOI: | http://dx.doi.org/10.3390/50300445 |
Título revista: | Molecules |
Título revista abreviado: | Molecules |
ISSN: | 14203049 |
CODEN: | MOLEF |
PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_14203049_v5_n3_p445_Sosa.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14203049_v5_n3_p445_Sosa |