CAS: 668273-74-3; Tert-Butyl (S)-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)Carbamate

英文名称Tert-Butyl (S)-(1-(7-(But-2-Yn-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-yl)Piperidin-3-yl)Carbamate
中文名称利格列汀杂质E
IUPAC名称tert-butyl (S)-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)carbamate
其它别名8-(3-Aminopiperidin-1-yl)-7-(3-Chlorobut-2-En-1-yl)-3-Methyl-1-((4-Methylquinazolin-2-yl)Methyl)-1H-Purine-2,6(3H,7H)-Dione; Linagliptin Impurity S; Linagliptin Imp.S; Carbamic Acid, [(3S)-1-[7-(2-Butynyl)-2,3,6,7-Tetrahydro-3-Methyl-1-[(4-Methyl-2-Quinazolinyl)Methyl]-2,6-Dioxo-1H-Purin-8-Yl]-3-Piperidinyl]-, 1,1-Dimethylethyl Ester (9Ci); 1-[(4-Methyl-Quinazolin-2-yl)Methyl]-3-Methyl-7-(2-Butyn-1-yl)-8-(3-(S)-Tert-Butoxycarbonylaminopiperidin-1-yl)Xanthine; Linagliptin Impurity Xq: What Is Linagliptin Impurity X Q: What Is The Cas Number Of Linagliptin Impurity X Q: What Is The Storage Condition Of Linagliptin Impurity X; 2-Methyl-2-Propanyl [(3S)-1-{7-(2-Butyn-1-yl)-3-Methyl-1-[(4-Methyl-2-Quinazolinyl)Methyl]-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl}-3-Piperidinyl]Carbamate; Ligliptin Impurity X
CAS编号668273-74-3
MFCD编号:MFCD30741319
分子式:C30H36N8O4分子量:572.67
产品CID: 1649682
产品分类有机原料→分子砌块→芳杂环类化合物→喹唑啉类化合物

相似结构搜索
InChIKey: PQEIZFATTRGTNW-FQEVSTJZSA-N
InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,1
计算化学: 氢键受体数11.0氢键供体数1.0可旋转键数5.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
安全声明H303+H313+H333

上下游产品

8-bromo-7-(but2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione 2-bromo-1-(but-2-ynyl)-4-methyl-6-((4-methylquinazolin-2-yl)methyl)-1H-imidazo[4,5-b]pyridine-5,7-(4H,6H)-dione tert-butyl (S)-piperidin-3-yl-carbamate 3-methyl-8-bromoxanthine

合成工艺路线路线简述

📜8-溴-3-甲基-3,7-二氢-嘌呤-2,6-二酮置于potassium Carbonate,N,N-二异丙基乙胺,甲基三丁基氯化铵,Potassium Iodide体系中,用四氢呋喃,2-甲基四氢呋喃作为反应溶剂,化学反应 16.0H,反应生成利格列汀杂质s
参考文献:Method For Preparing An Important Intermediate Of Linagliptin
标题:Method For Preparing An Important Intermediate Of Linagliptin
摘要:本发明公开了一种改进的制备利那格列汀重要中间体的工艺.具体公开了一种制备化合物v的工艺,该化合物v是利那格列汀的重要中间体,具有结构v,并且从化合物v中制备出具有优异化学和光学纯度的利那格列汀的工业工艺,利那格列汀是二肽基肽酶-4(dpp-Iv)的抑制剂.该工艺采用相转移催化剂,产率高,易于操作和简单处理,环保,适合工业大规模生产,并且可以通过"一锅法"实施.