外消旋化
产量(工程)
杂质
化学
分辨率(逻辑)
过程(计算)
色谱法
有机化学
材料科学
计算机科学
冶金
操作系统
人工智能
作者
Shenghua Gao,Xuezhi Gao,Zhezhou Yang,Fuli Zhang
标识
DOI:10.1021/acs.oprd.9b00553
摘要
An improved synthesis of (S)-ketamine (esketamine) has been developed, which was cost-effective, and the undesired isomer could be recovered by racemization. Critical process parameters of each step were identified as well as the process-related impurities. The formation mechanisms and control strategies of most impurities were first discussed. Moreover, the (S)-ketamine tartrate is a dihydrate, which was disclosed for the first time. The practicable racemization catalyzed by aluminum chloride was carried out in quantitative yield with 99% purity. The ICH-grade quality (S)-ketamine hydrochloride was obtained in 51.1% overall yield (14.0% without racemization) by chiral resolution with three times recycling of the mother liquors. The robust process of esketamine could be industrially scalable.
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