产量(工程)
过程(计算)
盐(化学)
工艺工程
材料科学
化学
还原胺化
组合化学
半水合物
酰胺
过程开发
戊二酸
胺气处理
化学工程
过程控制
制造工艺
可扩展性
计算机科学
胺化
过程变量
有机化学
活性成分
作者
Xiaoyong Li,Joel R. Calvin,David M. Remick,Saurin H. Rawal,Nicholas A. Magnus,Scott A. Frank,Dajiang Jing,Srinivas Gangula,Silong Zhang,Guopeng Wang,Yupeng Li,Fuliang Wei,Di Song,Dong Liu,Yunhui Zheng,James Muir,Jesus Gonzalez,Natalie G. Franklin-Charlesworth,William Raimbach,S. Saouane
标识
DOI:10.1021/acs.oprd.6c00038
摘要
A scalable and sustainable process for manufacturing LY3972406 hemiglutarate hemihydrate (1) was developed. It features a robust continuous stir tank reactor (CSTR) continuous-flow process that enables excellent process control in lithiation by n-BuLi and subsequent asymmetric addition assisted by the Ellman chiral auxiliary. This CSTR process addressed multiple challenges and successfully produced >1 MT of a chiral sulfonamide intermediate in high purity (>98%) and yield. An efficient CDMT/NMM-mediated amide formation was developed to yield a more sustainable process while affording high-quality products. Drug substance salt form switching from HCl salt to hemiglutarate hemihydrate was significantly improved by employing glutaric acid sodium salt at neutral conditions to minimize drug substance decomposition. The optimized process improved the overall yield from <15% to >40% with >300 kg of drug substance manufactured, demonstrating significant robustness. An alternative route highlighting the use of Ru-catalyzed direct asymmetric reductive amination has also been developed.
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