Design of Experiments (DoE) and Process Optimization. A Review of Recent Publications

TL;DR: In this paper , a modular platform which uses rapid flow NMR and FTIR measurements, combined with chemometric modeling, is presented for efficient and timely analysis of reaction outcomes, and is tested with a four variable single-step reaction (nucleophilic aromatic substitution), to determine the most effective optimization methodology.

Abstract: The title compound, [Zn(C8H10F3O2)2(CH4O)2], is a dimethanol coordinated zinc complex with the acetyl acetonate derivative 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionate. The bis-β-diketonate complex, which is isostructural with its Co analogue, is located on a crystallographic inversion center. The complex is octahedral with basically no distortion, and the methanol molecules are in trans positions with respect to one another. The planes of the β-diketonate and the ZnO4 unit are tilted by 18.64 (10)° against each other. O—H⋯O hydrogen bonds between the methanol hydroxyl groups and neighboring diketonate O atoms create chains running along [100].