Artículo

A Theoretical Study of 2-nitrofuran vs 3-nitrofuran as Dienophilic Electrophile in Polar Cycloaddition Reaction: Comparison of the Reactivity and Reaction Mechanism

Cainelli, Mauro; Ormachea, CarlaIcon ; Mancini, Pedro Maximo Emilio; Kneeteman, Maria NelidaIcon
Fecha de publicación: 11/2016
Editorial: ScienceDomain international
Revista: International Journal of Pure and Applied Chemistry
ISSN: 2231-3443
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

In this study, we analyzed in a theoretical form the behavior of 2-nitrofuran and 3-nitrofuran acting as dienophilic electrophiles in polar cycloaddition reactions joint to different dienes. The reactivity and regioselectivity was discussed employing global and local reactivity indexes, respectively. The reaction mechanisms of these cycloadditions were compared through the transition state structures and energies calculated.
Palabras clave: 2-Nitrofuran , Dft , Mechanism , Cycloaddition Reaction
 
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info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/71672
DOI: http://dx.doi.org/10.9734/IRJPAC/2016/30222
URL: http://www.sciencedomain.org/abstract/17020
Colecciones
Articulos(CCT - SANTA FE)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SANTA FE
Citación
Cainelli, Mauro; Ormachea, Carla; Mancini, Pedro Maximo Emilio; Kneeteman, Maria Nelida; A Theoretical Study of 2-nitrofuran vs 3-nitrofuran as Dienophilic Electrophile in Polar Cycloaddition Reaction: Comparison of the Reactivity and Reaction Mechanism; ScienceDomain international; International Journal of Pure and Applied Chemistry; 13; 1; 11-2016; 1-9
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