GET THE APP

A combined experimental and theoretical study of highly chemioselectivity acetylation of diterpene | Abstract
Scholars Research Library

Scholars Research Library

A-Z Journals

+44 7389645282

Journal of Computational Methods in Molecular Design

Abstract

A combined experimental and theoretical study of highly chemioselectivity acetylation of diterpene

Author(s): A. Zeroual, A. El Haib, A. Benharref and A. El Hajbi

Practical and simple techniques are described for using no modified domestic microwave ovens as safe and convenient laboratory devices to obtain numerous esters. In this work, an optimization of the solvent-free acetylation of natural product (diterpenoids) with acetic anhydride under microwave heating with iodine as a catalyst was performed in an eco-friendly process. The reactions were carried out under solvent-free conditions and the acetates were obtained in nearly quantitative yields with dramatic reduction of reaction time compared to standard oil-bath heating at room temperature. A complete theoretical study of the reaction has also been carried out using density functional methods (B3LYP/6-31G*)