Author/Authors :
Redouan, Hammal Laboratory of Biomolecular Chemistry - Natural Substances and Reactivity - Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech, MOROCCO , Abdelhak, Ouled Aitouna Laboratory of Biomolecular Chemistry - Natural Substances and Reactivity - Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech, MOROCCO , Ahmed, Benharref Laboratory of Biomolecular Chemistry - Natural Substances and Reactivity - Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech, MOROCCO , Ahmed, Chekroun Laboratory of Biomolecular Chemistry - Natural Substances and Reactivity - Faculty of Sciences Semlalia, Cadi Ayyad University, Marrakech, MOROCCO , Adil, Jaafar Laboratory of Engineering - Industrial Management and Innovation - Faculty of Sciences and Techniques, Hassan 1st University, Settat, MOROCCO , Jaouad, Badry Sultan Moulay Slimane University of Beni Mellal - Research Group in Environmental Sciences and Applied Materials (SEMA), FP Khouribga, Khouribga, MOROCCO , El Hamidi, Sanaa Sultan Moulay Slimane University of Beni Mellal - Research Group in Environmental Sciences and Applied Materials (SEMA), FP Khouribga, Khouribga, MOROCCO , Mohamed, Abdennouri Sultan Moulay Slimane University of Beni Mellal - Research Group in Environmental Sciences and Applied Materials (SEMA), FP Khouribga, Khouribga, MOROCCO
Abstract :
The reactivity of the bicyclic sesquiterpene β-himachalene which is considered one of the main constituents of the essential oil of the Atlas cedar (Cedrus atlantica) and its derivatives have been studied extensively, in order to prepare new biological products. The title compound, C17H26Br2 was synthesized from the β-himachalene with :CBr2, in dichloromethane (DCM) and with :CH2 cycloaddition reaction, in diethyl ether. Density functional theory (DFT) calculations at the B3LYP/6-311+G(d,p) computational level account for the total chemo- and regioselectivity, in complete agreement with the experimental outcomes.
Keywords :
β-himachalene , Cedrus atlantica , Cycloaddition reactions reactivity descriptors , Density Functional Theory
