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Research Article Open access CC BY 4.0

A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids

Mauro Cainelli, Carla M. Ormachea, María N. Kneeteman, Pedro M. E. Mancini

International Research Journal of Pure and Applied Chemistry · pp. 1–10 · Published 7 Jul 2016

10.9734/IRJPAC/2016/27380

Abstract

In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition reaction we have discussed the modification of the dienophile reactivity when the solvent effect is considered by adding molecules of ILs to the dienophile optimizations.

Nitrofuran Diels-Alder theoretical calculations mechanism

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