CAS: 1253056-18-6; (E)-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)-4-(2,4,5-Trifluorophenyl)But-2-En-1-One

英文名称(E)-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)-4-(2,4,5-Trifluorophenyl)But-2-En-1-One
中文名称西格列汀杂质 07
IUPAC名称(E)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one
其它别名Sitagliptin Deamino Impurity 1; (E)-1-(3-(Trifluoromethyl)-5,6-Dihydro; Sitagliptin Impurity 8/sitagliptin Fp Impurity D/3-Desamino-2,3-Dehydro Sitagliptin/(2E)-1-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-4-(2,4,5-Trifluorophenyl)But-2-En-1-One; (2E)-1-[5,6-Dihydro-3-(Trifluoromethyl)-1,2,4-Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-4-(2,4,5-Trifluorophenyl)-2-Buten-1-One; 3-Desamino-2,3-Dehydro Sitagliptin; Sitagliptin Impurity Fp-D; (E)-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-yl)-4-(2,4,5-Trifluorophenyl)But-2-En-1-One; Sitagliptin Impurity S
CAS编号1253056-18-6
MFCD编号:MFCD28972394
FDA UNII编号:BA5DQ297BM
分子式:C16H12F6N4O
分子量:390.28
产品CID: 376406
产品分类有机原料 → 有机杂环化合物

相似结构搜索
InChIKey: QSSHJJFVCWMIKH-HNQUOIGGSA-N
InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1,3,6-7H,2,4-5,8H2/b3-1+…
计算化学: 氢键受体数9.0氢键供体数0.0可旋转键数3.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H315-H319-H335
防范说明P261-P305+P351+P338

上下游产品

1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione (R/S)-3-hydroxy-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

合成工艺路线路线简述

海关参考信息

2901210000-乙烯
2901220000-丙烯
2902600000-乙苯
2912110000-甲醛
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专利信息

专利号:US-9938282-B2
优先权日:2014-02-05
标题:Expedient synthesis of sitagliptin
发明人：JANAGANI SATYANARAYANA; THADURI VENKATESHWAR KUMAR; VAMARAJU RAVISANKAR
权利人:STEREOKEM INC
摘要:Novel intermediates are disclosed as intermediates for preparation of a Sitagliptin. A novel synthetic method to prepare Sitagliptin using the said intermediates is also disclosed.

专利号:EP-3102580-A2
优先权日:2014-02-05
标题 :Expedient synthesis of sitagliptin

专利号:US-2017183351-A1
优先权日:2014-02-05
标题:Expedient synthesis of sitagliptin

专利号:WO-2015120111-A2
优先权日:2014-02-05
标题 :Expedient synthesis of sitagliptin

其他信息查阅

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主要参考文献

参考标题:Expedient Synthesis Of Sitagliptin
摘要:Novel Intermediates Are Disclosed As Intermediates For Preparation Of A Sitagliptin. A Novel Synthetic Method To Prepare Sitagliptin Using The Said Intermediates Is Also Disclosed.