Configuration of stilbene derivatives by (1)H NMR and theoretical calculation of chemical shifts


Autoria(s): ROTTA, Rodrigo; CUNHA NETO, Alvaro; LIMA, Denis Pires de; BEATRIZ, Adilson; SILVA, Gil Valdo Jose da
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

19/10/2012

19/10/2012

2010

Resumo

The direct E/Z configuration assignment of tri- and tetra-substituted stilbenes (and other analogous olefins) when only one of the isomers is available is a quite challenging task. Sometimes, a chemical transformation or some other tedious method is necessary for determination of the double bond substitution pattern. In this paper, we relied on theoretical calculation of chemical shifts as a complementary tool for (1)H NMR determination of the configuration of an alpha-phenylcinnamic acid prepared as a unique isomer by the Perkin reaction. (C) 2010 Elsevier B.V. All rights reserved.

Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP)

Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)

Coordenadoria de Aperfeicoamento de Pessoal de Nivel Superior (CAPES)

Identificador

JOURNAL OF MOLECULAR STRUCTURE, v.975, n.1/Mar, p.59-62, 2010

0022-2860

http://producao.usp.br/handle/BDPI/20826

10.1016/j.molstruc.2010.03.079

http://dx.doi.org/10.1016/j.molstruc.2010.03.079

Idioma(s)

eng

Publicador

ELSEVIER SCIENCE BV

Relação

Journal of Molecular Structure

Direitos

restrictedAccess

Copyright ELSEVIER SCIENCE BV

Palavras-Chave #Chemical shift calculation #NMR #GIAO #Stilbene #NATURAL-PRODUCTS #RESVERATROL #NMR #ANALOGS #WINE #Chemistry, Physical
Tipo

article

original article

publishedVersion