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

Autores
Sosa, M.; Piris, M.; Burton, G.
Año de publicación
2000
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
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.
Fuente
Molecules 2000;5(3):445-446
Materia
thiourea derivative
alkylation
conference paper
crystal structure
mathematical analysis
quantum chemistry
stereochemistry
X ray diffraction
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
paperaa:paper_14203049_v5_n3_p445_Sosa
Acceder
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oai_identifier_str paperaa:paper_14203049_v5_n3_p445_Sosa
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?Sosa, M.Piris, M.Burton, G.thiourea derivativealkylationconference papercrystal structuremathematical analysisquantum chemistrystereochemistryX ray diffractionWe 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.2000info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/20.500.12110/paper_14203049_v5_n3_p445_SosaMolecules 2000;5(3):445-446reponame:Biblioteca Digital (UBA-FCEN)instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesinstacron:UBA-FCENenginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/ar2025-11-13T08:45:40Zpaperaa:paper_14203049_v5_n3_p445_SosaInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-11-13 08:45:41.9Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
title 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
spellingShingle 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
Sosa, M.
thiourea derivative
alkylation
conference paper
crystal structure
mathematical analysis
quantum chemistry
stereochemistry
X ray diffraction
title_short 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
title_full 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
title_fullStr 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
title_full_unstemmed 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
title_sort 3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" conformation?
dc.creator.none.fl_str_mv Sosa, M.
Piris, M.
Burton, G.
author Sosa, M.
author_facet Sosa, M.
Piris, M.
Burton, G.
author_role author
author2 Piris, M.
Burton, G.
author2_role author
author
dc.subject.none.fl_str_mv thiourea derivative
alkylation
conference paper
crystal structure
mathematical analysis
quantum chemistry
stereochemistry
X ray diffraction
topic thiourea derivative
alkylation
conference paper
crystal structure
mathematical analysis
quantum chemistry
stereochemistry
X ray diffraction
dc.description.none.fl_txt_mv 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.
description 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.
publishDate 2000
dc.date.none.fl_str_mv 2000
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/20.500.12110/paper_14203049_v5_n3_p445_Sosa
url http://hdl.handle.net/20.500.12110/paper_14203049_v5_n3_p445_Sosa
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/2.5/ar
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv Molecules 2000;5(3):445-446
reponame:Biblioteca Digital (UBA-FCEN)
instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron:UBA-FCEN
reponame_str Biblioteca Digital (UBA-FCEN)
collection Biblioteca Digital (UBA-FCEN)
instname_str Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron_str UBA-FCEN
institution UBA-FCEN
repository.name.fl_str_mv Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
repository.mail.fl_str_mv ana@bl.fcen.uba.ar
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score 12.738264

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