764667-65-4

764667-65-4 structure

Name: (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
Chemical Name: 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
CAS Number: 764667-65-4
Molecular Formula: C₁₆H₁₂F₆N₄O₂
Molecular Weight: 406.283
Create Date: 2018-10-07 16:11:22
Modify Date: 2026-07-02 12:06:13

Name	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
Synonyms	(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

Density	1.6±0.1 g/cm3
Boiling Point	513.9±60.0 °C at 760 mmHg
Melting Point	82-84ºC
Molecular Formula	C₁₆H₁₂F₆N₄O₂
Molecular Weight	406.283
Flash Point	264.6±32.9 °C
Exact Mass	406.086456
PSA	68.09000
LogP	1.46
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.580
Storage condition	Refrigerator

HS Code	2933990090

486460-32-6

764667-65-4

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

486460-21-3

764667-64-3

~88%

764667-65-4

Literature: 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

Literature: US2011/213149 A1, ;

1176895-65-0

764667-65-4

Literature: US2011/213149 A1, ;

HS Code	2933990090
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%

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