Abstract

Co(II) Mediated Electro-Oxidation of Toluene and p-Xylene with Microchannel Flow Cell Reactor

Kai Wang, Associate Professor, Tsinghua University

The oxidation of methylarenes is a crucial reaction for preparing fine chemicals such as aromatic aldehydes and aromatic acids. Conventional oxidation methods much rely on high-temperature and high-pressure conditions or hazardous reagents, leading to safety risks and environmental pollution. Electro-oxidation offers an alternative due to its advantages of high atomic economy and mild reaction conditions. Among different electro-oxidation approaches of methylarenes, indirect oxidation mediated by Co(II) in organic systems holds the potential to solve the problems. We therefore constructed a Co(II)-mediated indirect electro-oxidation system for methylarenes using acetic acid as the solvent, cobalt acetate as the electrochemical mediator, and n-Bu4NBF4 as the supporting electrolyte. Facing complex product distributions and selectivity control challenges, an AI algorithm was integrated to develop and optimize a selective electro-oxidation process, achieving a balance between product yield and energy consumption. A continuous-flow reaction platform centered on an electrochemical microreactor was further designed, enabling the electro-oxidation with high yield and selectively.