Abstract

This is done for the 3-step flow cascade to yield (1R,3S)-1-(3-chlorophenyl)butane-1,3-diol. The ethoxylated ionic liquid Among 110TM acts as phase separator for the biocatalyst alcohol dehydrogenase, increasing also its activity and stability. The system water/acetophenone/Ammoeng 110TM gives up to 5 metastable phases which turn with time to fewer phases. 

The large diversity of ILs (>10 exp 6) and conventional solvents (> 7000) opens up possibility for solvent modelling via the COSMO-RS method. We identified 2-hydrazinoethanol as best conventional solvent and also some IL candidates. Cost/LCA assessment and experi-mental screening will then guide to the final solvents of our "Multi-Step-Solvent-Factory".

Concerning the latter, we developed the first quantita-tive solvent selection methodology. A comprehensive assessment has been done by applying a solubility model, followed by an economic, reactivity and safety assessment. SHE assessment was complemented by conducting an LCA (cradle-to-gate) to each solvent. From the solubility model, the amount of solvent needed was quantified, and combined with the LCA results allowed us to select the greenest solvent coupled with a quantitative impact assessment. This methodology was for now applied to conventional solvents, but will be applied to ionic liquids as well to develop a green Functional Solvent Factory.