Optimization by Response Surface Methodology (RSM) of the Kharasch−Sosnovsky Oxidation of Valencene

Abstract

Response surface methodology (RSM) has been employed to model and optimize the Kharasch−Sosnovsky allylic oxidation of valencene. The detailed effects of the amounts of oxidant, substrate, copper catalyst, 1,8- diazabicyclo[5.4.0]undec-7-ene (DBU), and temperature have been studied. The concentration of substrate and quantity of oxidant have been determined as the most significant variables. The interaction effects on the yield have been investigated using a three-level full-factorial design. The yield of benzoyloxyvalencene has been improved to 99%. Analysis of variance (ANOVA) has been used to evaluate the goodness of fit of the model.