764667-65-4

• 常用中文名：(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
• 常用英文名：(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
• CAS号：764667-65-4
• 分子式：C₁₆H₁₂F₆N₄O₂
• 分子量：406.283
• 发布时间：2018-10-07 16:11:22
• 更新时间：2026-07-02 12:06:13
• 西他列汀中间体

名称

• 中文名: (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
• 英文名: 1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione
• 中文别名: (2Z)-4-氧代-4-[3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并; 西格列汀杂质FP-G; 1-(3-三氟甲基-5,6-二氢-8H-[1,2,4]三唑-[4,3-A]吡嗪-7-)-4-(2,4,5-三氟苯基)-1,3—丁二酮; 6-二氢-[1; 5-三氟苯基)-2-丁酮; 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)-2-丁酮; (2Z)-4-氧代-4-[3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-A]; 1-(3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-A]吡嗪-7(8H)-基)-4-(2,4,5-三氟苯基)1,3-丁二酮(西格列汀杂质); 4-氧-4-[3-(三氟甲基)-5,6-二氢[1,2,4]三唑[4,3-A]吡嗪-7(8H)-基]-1-(2,4,5-三氟甲基)丁基-2-酮; (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; (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 764-4; 1-(3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-A]吡嗪-7(8H)-基)-4-(2,4,5-三氟苯基)丁烷-1,3-二酮; (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; 1-(3-三氟甲基-5,6-二氢-8H-[1,2,4]三唑-[4,3-A]吡嗪-7(8H)-基)-4-(2,4,5-三氟苯基)-1,3-丁二酮; 1-(3-(三氟甲基)-5,6-二氢-[1,2,4]三唑并[4,3-A]吡嗪-7(8H)-基)-4-(2,4,5-三氟丙基)丁烷-1,3-二酮; 西他列汀杂质42盐酸盐; 4-氧代-4-[3-(三氟甲基)-5; 西他列汀酮酰胺杂质; 西他利汀杂质 B; (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(2Z); 西他列汀酮酰受杂质; 西格列汀酮酰胺杂质; 西他列汀杂质42; 西格列汀杂质13; 3-A]吡嗪-7-(8H)-基]-1-(2; 西他列汀中间体4; 西他列汀杂质4
• 英文别名: (R)-TERT-BUTYL 4-OXO-4-(3-TRIFLUOROMETHYL)-5,6-DIHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL)-1-(2,4,5-TRIFLUOROPHENYL); 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; Sitagliptin Impurity 4; Sitagliptin Ketone; rac-Sitagliptin 3-Ketone; 5-trifluorophenyl)butan-2-one; 4-oxo-4-[3-(trifluoromethyl)-5; (2Z)-4-Oxo-4-[3-(trifluoroMethyl) -5,6-dihydro-[1,2,4]triazolo[4,3-a] pyrazine-7(8H)-yl]-1-(2,4,5-tr; 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 (Intermediate of Sitagliptin phosphate); 1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione; (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazol; 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; 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 (Sitagliptin Impurity）; Sitagliptin keto amide; Sitagliptin dioxygen impurity; [4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one; (2Z)-1-[3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butane-1,3-dione; 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one; 4-(2,4,5-trifluorophenyl); T56 AN CNN GN&TJ BXFFF GV1V1R BF DF EF; (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro- [1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5- trifluorophenyl)butan-2-one (Sitagliptin Ketoamide); (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4; Sitagliptin Ketoamide Impurity(SIT-3); 1,3-Butanedione,1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl); (2Z)xo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one; 1-(3-Trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(2,4,5-trifluoro-phenyl)-butane-1,3-dione; 3-a]pyrazin-7(8H)-yl]-1-(2; 1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorop; Sitagliptin impurity 11/Sitagliptin Ketoamide Impurity/Sitagliptin dioxo impurity/(2Z)-4-Oxo-4-[3-(trifluoroMethyl)-5,6-dihydro-[1,2,4] triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one; 1-(3-(Triuoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a] pyrazin-7(8H)-yl)-4-(2,4,5-triuorophenyl)butane-1,3-dione; 4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-α]pyrazin-7(8H)-yl] -1-(2,4,5-trifluorophenyl)butan-2-one; (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5; intermediate of Sitagliptin\/Sitagliptin phosphate\/Sitagliptin phosphate monohydrate; Sitagliptin Impurity 53; 1-(3-(Triforomethyl)5,6-Dihydro-[1,2,4]Triazolo[4,3-A]Pyrazine-7(8H)-Yl)-4-(2,4,5-Trifluorophenyl)Butane-1,3-Dione; 4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one; 5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H); 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine -7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione; Sitagliptin Ketoamide Impurity (Sitagliptin dioxo impurity); 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-α]pyrazin-7(8H)-yl] -4-(2,4,5-trifluorophenyl)-1,3-butanedione; 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl] -4-(2,4,5-trifluorophenyl)-1,3-butanedione; Sitagliptin-11; 4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butane-2-one; 1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophen; (2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-on

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 513.9±60.0 °C at 760 mmHg
• 熔点: 82-84ºC
• 分子式: C₁₆H₁₂F₆N₄O₂
• 分子量: 406.283
• 闪点: 264.6±32.9 °C
• 精确质量: 406.086456
• PSA: 68.09000
• LogP: 1.46
• 外观性状: 棕色油状
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.580
• 储存条件: Refrigerator

安全

• 海关编码: 2933990090

合成路线

486460-32-6 ~% 764667-65-4

文献：WO2012/63085 A2, ; Page/Page column 109 ; WO 2012/063085 A2

486460-21-3 764667-64-3 ~88% 764667-65-4

文献：Xu, Feng; Armstrong III, Joseph D.; Zhou, George X.; Simmons, Bryon; Hughes, David; Ge, Zhihong; Grabowski, Edward J. J. Journal of the American Chemical Society, 2004 , vol. 126, # 40 p. 13002 - 13009

209995-38-0 ~% 764667-65-4

文献：US2011/213149 A1, ;

1176895-65-0 ~% 764667-65-4

文献：US2011/213149 A1, ;

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%