Programming of microwave-assisted synthesis of new isophthalate derivatives using ZrOCl2 as a catalyst under solvent-free condition by experimental design

•A response surface model was created for the time and yield of the reaction.•The time and yield optimal condition were determined by programming.•The correlation coefficients demonstrate that theoretical values are in good agreement with the experimental values.•The R2-predicted values exhibiting the ability for these particular models to be used as a basis for future inferences.

In this investigation, isophthalate derivatives were prepared by the reaction of isophthaloyl dichloride with various alcohol derivatives using ZrOCl2 as an efficient, green and a heterogeneous catalyst under microwave irradiation and solvent- free condition. Optimization of the reaction condition was studied by the response surface method (Box Behnken Design (BBD)) with three replicates at a central point for developing a second order model. Predicting response values using the obtained model were in a good accordance with the experimental results. Clean reaction, easy workup procedure, the reusability of the catalyst, short reaction times and high yields were some advantages of this work.

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