Optimization of process parameters and k

In order to produce (S)-2-pentanol, which is used as a key chiral intermediate in the synthesis of potential anti-Alzheimer drugs, this study investigates the effects of various factors including enzyme, acyl donor, substrate concentration, and acyl donor/racemic-2-pentanol mole ratio on the kinetic resolution of racemic-2-pentanol. The methodology employed involves conducting reactions in a 50 mL capacity bioreactor with a working volume of 30 mL under controlled conditions (150 rpm, 30°C). The optimum conditions determined included the use of Novozym 435 and vinyl butyrate, achieving 50% conversion and 99% enantiomeric excess within 30 minutes. Optimal parameters for substrate and enzyme concentrations were found to be 1500 mL and 4 mg/mL respectively, alongside a maximum initial reaction rate of 24.88 mM/m. The reaction kinetics was modeled using a Ping-Pong bi-bi mechanism, and kinetic parameters were calculated with Polymath 6.1 software, yielding values of 4.16 mmol/dk/g enzyme, Kma 103.73 mM for alkyl, and KmB 51.18 mM for vinyl butyrate for (R)-2-pentanol. Consequently, (S)-2-pentanol was successfully synthesized with 99% enantiomeric excess, indicating the viability of scaling up this process for industrial applications.