A Regioselective and Stereoselective Synthesis of 2,5-Dichloro-2,5,9,9-tetramethyl-decahydro-benzocycloheptene via Stepwise addition Reactions between α-himachalene and HCl: Experimental and Theoretical Study
Authors: N. Ourhriss, A. Zeroual, C. A. Gadhi, A. Benharref, A. Abourriche, A. Bennamara, A.El Hajbi
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2,5-Dichloro-2,5,9,9-tetramethyl-decahydro-benzocycloheptene has been prepared using addition reaction of α-himachalene and HCl. In addition, this reaction have been theoretically studied using DFT methods at the B3LYP/6–31G(d) level of theory. The comparatively low activation energies and Parr functions of the nucleophilic α-himachalene and 3,7-dichlorohimachalane, as well as electrophilic Parr functions of the electrophilic HCl, expounding the regio- and stereospecific experimentally observed.