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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