Exploring the Green Synthesis Process of 2-Mercaptobenzothiazole for Industrial Production

This study outlines a high-yield green method for synthesizing MBT using aniline, carbon disulfide and sulfur as raw materials via a one-step reaction combined with high–low-temperature extraction. The process is supported by experimental results and lab-scale tests, and the operating conditions of the amplification process are evaluated using Aspen Plus simulation software, supplemented with Gaussian09 calculations. The sensitivity analysis results indicate that the MBT yield reaches its maximum value when the feed mass ratio of S:CS2:C6H7N:C7H8 is 6:17:20:90. Additionally, setting the reaction temperature to 240 °C and pressure to 10 MPa improves the MBT synthesis yield from 58% to 82.5%. Optimal condensation and extraction conditions are achieved at −30 °C and 1 atm, followed by a separation step at 40 °C. The simulation results provide valuable guidance for the industrial production of MBT.