CAS: 847445-81-2; 3-Amino-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3-Amino-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3-氨基-1-[5,6-二氢-3-(三氟甲基)-1,2,4-噻唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)-2-丁烯-1-酮
IUPAC名称3-amino-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1,2,4-Triazolo[4,3-A]Pyrazine, 7-[3-Amino-1-Oxo-4-(2,4,5-Trifluorophenyl)-2-Butenyl]-5,6,7,8-Tetrahydro- 3-(Trifluoromethyl)-; 7-[1-Oxo-3-Amino-4-(2,4,5-Trifluorophenyl)But-2-Enyl]-3-Trifluoromethyl-5,6,7,8-Tetrahydro-1,2,4-Triazolo[4,3-A]Pyrazine; (4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3-A]Pyrazin-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)But-2-En-2-Amine; (2Z)-3-Amino-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; (E)-3-Amino-1-(3-(Trifluoromethyl); 3-Amino-1-(3-(Trifluoromethyl)-5,6-Dihydro-[1,2,4]Triazolo-[4,3-A]Pyrazin-7(8H)-yl)-4-(2,4,5-Trif; 3-Amino-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-Amino-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
CAS编号847445-81-2
MFCD编号:MFCD12031551
分子式:C16H13F6N5O
分子量:405.3
产品CID: 1837184
产品分类Chemistry → Organic Building Blocks → Amines | Fluorinated Building Blocks | Amides | Trifluoromethyls | Other Aromatic Heterocycles | Alkenyls

相似结构搜索
InChIKey: RLSFDUAUKXKPCZ-UHFFFAOYSA-N
InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2…
计算化学: 氢键受体数10.0氢键供体数1.0可旋转键数3.0

MSDS等安全信息

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合成工艺路线路线简述

764667-65-4 = 847445-81-2
反应条件:1.1 Reagents: Ammonium Acetate,Ammonia Solvents: Methanol,Water; 150 Min,58 °C; 58 °C -> Rt
标题:Synthesis And Resolution Of Racemic Sitagliptin
作者:Ye,Fei; Gao,Ren-Xiao; Shen,Ning; Ding,Zhi-Xin
参考文献:Hecheng Huaxue 日期:2010 卷标:18(6) 页码:767-770]

764667-65-4 = 847445-81-2
反应条件:1.1 Reagents: Ammonium Acetate,Ammonium Hydroxide Solvents: Water; 30 Min,20 °C; 3.5 H,20 °C -> Reflux; Reflux -> 2 °C; 30 Min,2 °C
标题:4-Oxo-4-[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[4,3- A]Pyrazine-7(8H)-Yl]-1-(2,4,5-Trifluorophenyl)-But-2-En-2-Amine
作者:Anonymous
参考文献:Ip.Com Journal 日期:2008 卷标:8

(2Z)-4-氧代-4-[3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-A]吡嗪-7-(8H)-基]-1-(2,4,5-三氟苯基)丁-2-酮在 Ammonium Acetate,氨体系中,用甲醇,水作为反应溶剂,获得 Dehydrositagliptin
参考文献:Process For The Preparation Of R-Sitagliptin And Its Pharmaceutically Acceptable Salts Thereof
标题:Process For The Preparation Of R-Sitagliptin And Its Pharmaceutically Acceptable Salts Thereof
摘要:本发明提供了用于制备r-西他列汀及其药用可接受的盐的工艺.