Artículo

DFT calculations induced a regiochemical outcome revision of the Diels-Alder reaction between levoglucosenone and isoprene

Sarotti, Ariel MarceloIcon ; Suarez, Alejandra GracielaIcon ; Spanevello, Rolando AngelIcon
Fecha de publicación: 06/2011
Editorial: Pergamon-Elsevier Science Ltd
Revista: Tetrahedron Letters
ISSN: 0040-4039
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

An appealing inversion in the regiochemical outcome of Diels-Alder reactions between levoglucosenone (1) and its α-bromo derivative (5) with isoprene (2) was studied computationally. Based on different DFT calculations we concluded that both reactions should display the same regioselectivity. This result was further validated experimentally.
Palabras clave: DFT , DIELS-ALDER , LEVOGLUCOSENONE , REGIOCHEMISTRY
 
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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/11336/127148
URL: https://www.sciencedirect.com/science/article/abs/pii/S0040403911005855
DOI: http://dx.doi.org/10.1016/j.tetlet.2011.04.021
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Articulos(IQUIR)
Articulos de INST.DE QUIMICA ROSARIO
Citación
Sarotti, Ariel Marcelo; Suarez, Alejandra Graciela; Spanevello, Rolando Angel; DFT calculations induced a regiochemical outcome revision of the Diels-Alder reaction between levoglucosenone and isoprene; Pergamon-Elsevier Science Ltd; Tetrahedron Letters; 52; 24; 6-2011; 3116-3119
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