Wangler, Anton; Loll, Rouven; Greinert, Thorsten; Sadowski, Gabriele; Held, Christoph published the artcile< Predicting the high concentration co-solvent influence on the reaction equilibria of the ADH-catalyzed reduction of acetophenone>, Related Products of 606-68-8, the main research area is acetophenone alc dehydrogenase catalyst cosolvent effect reduction equilibrium.
The use of co-solvents for the enhancement of the reaction parameters reaction rate, yield and enantioselectivity is an established optimization strategy in biotechnol. To determine the influence of co-solvents on even one of these reaction parameters requires a great amount of exptl. data. Thus, predictive and phys. sound models are desired to decrease the amount of exptl. effort. This work aims at providing such a framework, which was applied to the ADH (alc. dehydrogenase)-catalyzed reduction of acetophenone at 303.15 K and 1 bar in water (neat) and under the influence of up to 20 wt-% of polyethylene glycol (PEG) and 15 wt-% trisodium citrate (Na3Cit). In a first step, the equilibrium composition was measured at constant pH. It was then shown that high concentration of PEG or Na3Cit changed the equilibrium position significantly (up to a factor of 13) compared to neat reaction mixtures To be able to predict this strong co-solvent influence on the reaction equilibrium, the exptl. determined equilibrium compositions of the neat reaction were converted into a thermodn. equilibrium constant Kth using the activity coefficients γi of the reacting agents. The latter were predicted by electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT). These finally allowed quant. predicting the high concentration co-solvent influence on the equilibrium position.
Journal of Chemical Thermodynamics published new progress about Cosolvents. 606-68-8 belongs to class chiral-phosphine-ligands, and the molecular formula is C21H27N7Na2O14P2, Related Products of 606-68-8.
Referemce:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate