(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

Modify Date: 2024-01-02 16:47:28

(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 Structure
(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 structure
 Common 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
CAS Number 764667-65-4 Molecular Weight 406.283
Density 1.6±0.1 g/cm3 Boiling Point 513.9±60.0 °C at 760 mmHg
Molecular Formula C16H12F6N4O2 Melting Point 82-84ºC
MSDS N/A Flash Point 264.6±32.9 °C

 Names

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
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

HS Code 2933990090

 Synthetic Route

Sitagliptin structure

Sitagliptin

CAS#:486460-32-6

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(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 Structure

(2Z)-4-Oxo-4-[3...

CAS#:764667-65-4

Literature: WO2012/63085 A2, ; Page/Page column 109 ; WO 2012/063085 A2
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine structure

3-(Trifluoromet...

CAS#:486460-21-3

5-(1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione structure

5-(1-Hydroxy-2-...

CAS#:764667-64-3

~88%

(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 Structure

(2Z)-4-Oxo-4-[3...

CAS#: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
2,4,5-Trifluorophenylacetic acid structure

2,4,5-Trifluoro...

CAS#:209995-38-0

~%

(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 Structure

(2Z)-4-Oxo-4-[3...

CAS#:764667-65-4

Literature: US2011/213149 A1, ;
2-(2,4,5-trifluorophenyl)acetyl chloride structure

2-(2,4,5-triflu...

CAS#:1176895-65-0

~%

(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 Structure

(2Z)-4-Oxo-4-[3...

CAS#:764667-65-4

Literature: US2011/213149 A1, ;

 Customs

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%

 Synonyms

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-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-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
rac-Sitagliptin 3-Ketone
T56 AN CNN GN&TJ BXFFF GV1V1R BF DF EF
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
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
(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
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(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 suppliers

(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 price

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Chemsrc provides CAS#:764667-65-4 MSDS, density, melting point, boiling point, structure, etc. Its name is (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>> amp version: (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

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