A Study on the Reaction Mechanisms and Process Safety of Pyrisoxazole Synthesis

Understanding the kinetics and thermodynamic parameters of main reactions is critical for identifying the optimal operating conditions for chemical processes. The reaction mechanism and process safety for the synthesis of pyrisoxazole from 3acetylpyridine, p-chloroprene, and n-methylhydroxylamine sulfate with sodium acetate as the buffer were researched in this study. The reaction mechanism was investigated by the combined analysis of molecular spectrum and liquid chromatography, and the molecular spectral data of the characteristic functional groups and their changes during the reaction were obtained. The apparent thermodynamic and kinetic data of the synthesis reaction were obtained by chemical reaction hazards study. The apparent reaction heat was -1298.7 kJ.kg(-1), the adiabatic temperature rise of the runaway system was 59.4 K, the maximum reaction rate arrival time of the runaway system was 24 h, which corresponded to the temperature TD24 of 116.8 degrees C, and the maximum temperature MTSR of the runaway system was 135.9 degrees C.