Browsing by Author "Erdem, Safiye Sağ"
Thermal rearrangement of 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane: Theoretical elucidation of the mechanism Authors:Erdem, Safiye Sağ; Uyar, Fahriye; Karahan, Özlem; Yelekçi, Kemal
Publisher and Date:(Elsevier Science, 2007)Bicyclohexenes are believed to be the immediate precursors of aromatic compounds. As a part of the exploratory study of thermal aromatization reactions 266-trimethylbicyclo[3.1.0]hexan-2-ol and its ester derivative 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane were synthesized. Pyrolysis of 2-acetoxy-266-trimethylbicyclo[3.1.0]hexane at 350 degrees C gave 133-trimethyl-14-cyclohexadiene instead of the expected product 266-trimethylbicyclo[3.1.0]hex-2-ene. Computational methods such as PM3 31G]* were ...