过程(计算)
工艺工程
化学
生化工程
计算机科学
工程类
操作系统
作者
Wei Ming Chen,Jin Suo,Yongjian Liu,Yuanchao Xie,Ming-Jun Wu,Fuqiang Zhu,Nian Yifeng,Haji Akber Aisa,Jingshan Shen
标识
DOI:10.1021/acs.oprd.8b00438
摘要
Efforts toward route evaluation and process optimization for the preparation of brexpiprazole (1) are described. Starting from commercially available dihydroquinolinone 11, a three-step synthesis route composed of O-alkylation, oxidation, and N-alkylation was selected for industry-oriented process development aiming to reduce side reactions and achieve better impurity profiles. The reaction conditions of the three steps were investigated, and the control strategy for the process-related impurities was established. The optimized process was validated on the kilogram scale and now is viable for commercialization, with the results of not less than 99.90% purity of 1 (by HPLC) and not more than 0.05% of persistent impurities 15 and 16.
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