Development of a new green reaction synthesis using Design of Experiment (DOE)

Abstract

The use of certain solvents in chemical reactions can cause negative environmental impacts. The goal of this work is to optimize a novel synthesis for both yield and environmental impact. The reactions will be analyzed by a green scoring software, DOZN, that provides a quantitative scoring of its impact. This research optimized a green reaction on the microliter scale using design of experiment (DOE) procedures with nuclear magnetic resonance (NMR). This is conducive to many of the green chemistry tenants as it limits the waste volumes, allows for the use of green solvents, and continuously monitors the progress of the reaction. A standard procedure that optimizes multiple reactions while also remaining fiscally competitive with non-green alternatives was developed.