Volume : IV, Issue : IX, September - 2014

Theoretical Study of Coumarins Molecules in the Epoxidation Reactions: Chalepine and Gravelliferone

Ayadi Sameh

Abstract :

The coumarins have an important biological character. These molecules are natural substances which found in the plant Ruta. In this work, we theoretical study the epoxidation reactions on coumarins such as acetate chalepine 1 and Gravelliferone methyl ether 2. Using the two calculation methods DFT/B3LYP and ab–initio with the standard basis set 6–31G*, we discuss from thermodynamic and orbital point of view the possibility and the stereoselectivity of these reactions.

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Article: Download PDF   DOI : 10.36106/ijar  

Cite This Article:

AYADI Sameh Theoretical Study of Coumarins Molecules in the Epoxidation Reactions: Chalepine and Gravelliferone Indian Journal of Applied Research, Vol.4, Issue.9 September 2014

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