Department of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, Yueyang, China.
Chirality. 2019 Jun;31(6):445-456. doi: 10.1002/chir.23070. Epub 2019 Apr 11.
The enantioselective esterification of ibuprofen catalyzed by Novozym40086 was successfully conducted in organic solvent. Removing-water reagent was added into the reaction mixture to remove water produced in the esterification. The effects of temperature, n-hexanol concentration, ibuprofen concentration, and loading of enzymes were investigated. Under the condition of equilibrium, the thermodynamic equilibrium constant (K) of 7.697 and enantioselectivity (E) of 8.512 were obtained. The esterification reaction achieved its equilibrium in approximately 30 hours with conversion of 56% and ee of 93.78%. The predicted values of X and ee were 67.90% and 95.60%, respectively. The experimental value is approximately equal to the theoretical value, which indicates the feasibility of ideal models.
诺维信 40086 脂肪酶催化布洛芬对映选择性酯化反应在有机溶剂中顺利进行。向反应混合物中加入去水剂以除去酯化反应中生成的水。考察了温度、正己醇浓度、布洛芬浓度和酶用量的影响。在平衡条件下，得到热力学平衡常数（K）为 7.697，对映选择性（E）为 8.512。酯化反应在约 30 小时达到平衡，转化率为 56%，ee 值为 93.78%。X 和 ee 的预测值分别为 67.90%和 95.60%。实验值与理论值相近，表明理想模型具有可行性。
