Optimization of the catalytic cycloalkylation process of phenol with 1-methylcyclopentene

Abstract

The work presents the results of a study of the cycloalkylation reaction of phenol with 1-methylcyclopentene and the calculation of a regression mathematical model of the process. KN-30 was used as a process catalyst. The effect of input factors (temperature, time, molar ratios of starting components and amount of catalyst) on the yield and selectivity of para-(1-methylcyclopentyl) phenol was studied. As a result, the optimal conditions for obtaining para-(1-methylcyclopentyl) phenol with high yield and selectivity were found. When studying the reaction of cycloalkylation of phenol with 1-methylcyclopentene in the presence of a KH-30 catalyst, it was found that a high yield of the target product of 71.2% (for taken phenol), a selectivity of -92.8% (for the target product) was obtained under the following conditions: temperature - 110 ° C, duration reactions - 5 hours, the molar ratio of phenol to 1-methylcyclopentene 1:1, the amount of catalyst 10% based on the taken phenol. The chemical structure of the synthesized para-(1-methylcyclopentyl) phenol was confirmed by IR, 1Н and 13С NMR methods and its physicochemical parameters were determined. A regression mathematical model of the cycloalkylation process was calculated and the parameters of the optimal mode were found. With the calculated optimal values of the input variables found, a control experiment was set up, which made it possible to find the yield values of the target product Y1=78%, which indicates the acceptability of the developed regression model.