Optimization of Baeyer-Villiger reaction mediated by lipase for preparation of ε-caprolactone using response surface methodology

Abstract

Abstract: Immobilized T. laibaccii lipase-mediated chemical-enzyme Baeyer-Villiger oxidation method can prepare ε-caprolactone. The experimental design was carried out by response surface method, and the optimal reaction conditions were obtained, which the concentration of cyclohexanone was 1.22 mol/L, the molar ratio of cyclohexanone to urea hydrogen peroxide was 1∶1.3, the reaction temperature was 56.5 ℃, the yield reached 98.06%, and the concentration was as high as 1.2 mol/L. There are three reactions in the reaction system of cyclohexanone and ethyl acetate, which the third reaction is that urea hydrogen peroxide reacts with the intermediate acetic acid under the action of immobilized lipase, and acetic acid generates peracetic acid in situ. The quadratic polynomial model was established with the R² value of 0.998 8, which can accurately predict the yield of ε-caprolactone. In this model, the effect of initial concentration of cyclohexone, the ratio of cyclohexone to urea hydrogen peroxide and reaction temperature on ε-caprolactone yield are considered. The molar ratio of cyclohexone to urea hydrogen peroxide has a very significant effect on the yield of ε-caprolactone (p<0.000 6).

Key words: chemo-enzymatic Baeyer-Villiger reaction, immobilized lipase, caprolactone, optimization, response surface methodology

CLC Number:

TQ317

XU Hui, XUE Xiao, LI Kai-yuan, LIU Cui, DENG Ya-shan, ZHANG Yuan-yuan. Optimization of Baeyer-Villiger reaction mediated by lipase for preparation of ε-caprolactone using response surface methodology[J]. Journal of Lanzhou University of Technology, 2022, 48(6): 67-73.

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