A Theoretical Study of 2-nitrofuran vs 3-nitrofuran as Dienophilic Electrophile in Polar Cycloaddition Reaction: Comparison of the Reactivity and Reaction Mechanism
Mauro Cainelli, Carla M. Ormachea, Pedro M. E. Mancini, María N. Kneeteman
International Research Journal of Pure and Applied Chemistry · pp. 1–9 · Published 24 Nov 2016
10.9734/IRJPAC/2016/30222Abstract
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.
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