Solvent selection based on a conceptual process design by combining cost evaluation and life cycle assessments for developing new reaction pathways

Solvents have a significant impact on the efficiency and performance of chemical production. A large amount of solvent disposed after chemical production negatively impacts the environment and the economy. This study presents a solvent selection method based on a conceptual process design, which includes solvent processes used in chemical synthesis and waste solvent treatment. The proposed method is demonstrated with Suzuki-Miyaura coupling as a model reaction. The results show that solvent recycling costs and CO2 emissions were lower than those observed for incineration. Importantly, if the appropriate solvent is selected, the cost and CO2 emissions can be reduced by up to 67% and 70%, respectively, even with similar yields in the reaction. These results suggest that solvent selection combined with conceptual process design is the key to developing sustainable chemical production. Solvent selection combined with conceptual process design is the key to developing sustainable chemical production.