Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis

Luis R. Domingo, Patricia Pérez, Renato Contreras

Resultado de la investigación: Article

72 Citas (Scopus)

Resumen

The global and local electrophilicity indexes have been used to characterize the reactivity pattern of the CC double bond towards nucleophilic addition reactions. A wide family of molecules including ketones, esters, anhydrides, nitriles and nitrocompounds containing appropriate substitution on the CC double bond have been classified within an unique scale of reactivity. The predictive capability of the theoretical model is tested against a series of benzylidenemalononitriles and substituted α-nitrostilbenes.

Idioma originalEnglish
Páginas (desde-hasta)6585-6591
Número de páginas7
PublicaciónTetrahedron
Volumen60
N.º31
DOI
EstadoPublished - 26 jul 2004

Huella dactilar

Nitriles
Addition reactions
Anhydrides
Ketones
Discrete Fourier transforms
Esters
Substitution reactions
Theoretical Models
Carbon
Molecules

ASJC Scopus subject areas

  • Biochemistry
  • Organic Chemistry
  • Drug Discovery

Citar esto

Domingo, Luis R. ; Pérez, Patricia ; Contreras, Renato. / Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis. En: Tetrahedron. 2004 ; Vol. 60, N.º 31. pp. 6585-6591.
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Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis. / Domingo, Luis R.; Pérez, Patricia; Contreras, Renato.

En: Tetrahedron, Vol. 60, N.º 31, 26.07.2004, p. 6585-6591.

Resultado de la investigación: Article

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AU - Contreras, Renato

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