CAS: 1253055-94-5; (R)-(-)-Mandelic Acid Salt Of (R)-Methyl 3-Amino-4-(2,4,5-Trifluorophenyl)Butanoate

英文名称(R)-(-)-Mandelic Acid Salt Of (R)-Methyl 3-Amino-4-(2,4,5-Trifluorophenyl)Butanoate
中文名称西他列汀-int A7
CAS编号1253055-94-5
分子式:C19H20F3NO5分子量:399.37
产品CID: 376396
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: JBYIIBSXNYSNPK-HFEGYEGKSA-N
1S/C11H12F3NO2.C8H8O3/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12;9-7(8(10)11)6-4-2-1-3-5-6/h3,5,7H,2,4,15H2,1H3;1-5,7,9H,(H,10,11)/t2*7-/m11/s1
计算化学: 氢键受体数9.0氢键供体数3.0可旋转键数7.0

MSDS等安全信息

上下游产品

methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate (R)-Mandelic Acid (2,4,5-trifluorophenyl)acetic acid 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione 3-(R)-tert-butoxycarbonylamino-4-(2,4,5-trifluorophenyl)butyric acid methyl ester (R)-3-amino-4-(2,4,5-trifluorophenyl)butyric acid methyl ester (3R)-3-[(1,1-dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid sitagliptin

合成工艺路线路线简述

📜西他列汀-Int A3置于硫酸体系中,用甲醇,异丙醇用作溶剂,化学反应 5.0H,反应生成西他列汀-Int A7
参考文献:Sitagliptin Synthesis
标题:Sitagliptin Synthesis
摘要:本发明涉及一种用于制备对映富集的β-氨基酸衍生物的新工艺,例如用于合成对映富集的生物活性分子如西他列汀的β-氨基酯.关键步骤涉及用苯甲酸解析外消旋体.

海关参考信息

2902600000-乙苯
2905121000-正丙醇
2905130000-正丁醇
2905310000-1,2-乙二醇
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详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

实用工具

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

参考标题: Sitagliptin Synthesis Synthèse De La Sitagliptine
摘要:The Present Invention Relates To Novel Processes For The Preparation Of Enantiomerically Enriched β -Amino Acid Derivatives Such As β -Amino Esters Useful For The Synthesis Of Enantiomerically Enriched Biologically Active Molecules Such As Sitagliptin. The Key Step Involves The Resolution Of The Racemate With Mandelic Acid.