Optimization by Response Surface Methodology (RSM) of the Kharasch鈥揝osnovsky Oxidation of Valencene

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• 作者：Ana Leticia Garc铆a-Cabeza ; Lindsey P. Ray ; Rub茅n Mar铆n-Barrios ; Mar铆a J. Ortega ; F. Javier Moreno-Dorado ; Francisco M. Guerra ; Guillermo M. Massanet
• 刊名：Organic Process Research & Development
• 出版年：2015
• 出版时间：November 20, 2015
• 年：2015
• 卷：19
• 期：11
• 页码：1662-1666
• 全文大小：302K
• ISSN：1520-586X

文摘

Response surface methodology (RSM) has been employed to model and optimize the Kharasch鈥揝osnovsky 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.