Theoretical Studies of five-membered aromatic Heterocycles in Cycloaddition Reactions as a Complement of the Experimental Researches

Romina Brasca; Claudia Rosa; María Kneeteman; Pedro Mancini

doi:10.3390/ecsoc-10-01454

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Theoretical Studies of five-membered aromatic Heterocycles in Cycloaddition Reactions as a Complement of the Experimental Researches

Romina Brasca

Claudia Della Rosa

María Kneeteman

Pedro M.E. Mancini

¹ Área Química Orgánica - Departamento de Química - Facultad de Ingeniería Química. Universidad Nacional del Litoral. Santiago del Estero 2829- (S3000OAM) Santa Fe, Argentina

Published: 30 November 2006 by MDPI in The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry

https://doi.org/10.3390/ecsoc-10-01454

Abstract: It has been demonstrated that five-membered aromatic heterocycles are capable of undergoing normal electron demand Diels-Alder reactions with a variety of dienes. The global electrophilicity index of these dienophiles have been studied in order to predict the relative reactivity towards cycloaddition reactions. Influence of the type of substitution have also been discussed and compared with experimental results.

Keywords: five-membered aromatic heterocycles, dienophiles, Diels-Alder, electrophilicity index

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Romina Brasca

Claudia Rosa

María Kneeteman

Pedro Mancini