Main Reaction Network and Kinetics in the Synthesis of 2,2′-Dibenzothiazole Disulfide

The green synthesis of 2,2'-dibenzothiazole disulfide (MBTS) still faces some challenges. One of them is the fact that the main reaction network and kinetics have not been reported. In this paper, the characteristics of the mainly involved reactions were studied and the main reaction network for MBTS synthesis with hydrogen peroxide (H2O2) as an oxidant has been constructed. Some specific reaction conditions such as in high pH aqueous solution or in tert-butanol aqueous solution were designed to determine the reactions. The main reaction network includes a main reaction, a parallel side reaction, and the decomposition reactions of H2O2 and MBTS under alkaline conditions. The selectivity of the main reaction would be decreased with the increase of the pH value. The kinetic model was established, and the values of rate constants and activation energies were acquired. Furthermore, several general principles have been provided for the controllable preparation of MBTS.

Automated summary

This paper investigates the characteristics of mainly involved reactions and constructs the main reaction network for MBTS synthesis with H2O2 as an oxidant. Several general principles are provided for the controllable preparation of MBTS.