Estudio de la Reactividad Local del Ácido Valerénico y sus derivados en el contexto de la TFD
DOI:
https://doi.org/10.21754/tecnia.v28i1.193Palabras clave:
ácido valerénico, funciones de Fukui, nucleofilosResumen
Se estudiaron a los derivados del ácido valerénico tanto aminas derivadas (07) como ésteres (04), se logró optimizar las estructuras hasta su estado fundamental, los cuales fueron caracterizados mediante respectivos cálculos de frecuencia. Se realizó el análisis de la reactividad global y local de todas las estructuras, encontrando poca relevancia en la información de los índices globales. Los índices locales de reactividad como las Funciones de Fukui, fueron realmente enriquecedoras del conocimiento de los sistemas del ácido valerénico, para su potencialidad en la reacción con el receptor GABA. Así mismo, ahora informar que el efecto sustituyente solo se realiza para el caso de las reacciones con nucleófilos, mas es poco relevante en las reacciones con electrófilos, siendo los atractores de electrones los que ayudan en una mejora del poder de reactividad de centro
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