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

Modify Date: 2024-01-03 23:20:17

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 structure	Common Name	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 Number	847445-81-2	Molecular Weight	405.298
	Density	1.6±0.1 g/cm3	Boiling Point	555.1±60.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₃F₆N₅O	Melting Point	N/A
	MSDS	N/A	Flash Point	289.5±32.9 °C

Name	3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
Synonym	More Synonyms

Density	1.6±0.1 g/cm3
Boiling Point	555.1±60.0 °C at 760 mmHg
Molecular Formula	C₁₆H₁₃F₆N₅O
Molecular Weight	405.298
Flash Point	289.5±32.9 °C
Exact Mass	405.102417
PSA	77.04000
LogP	1.29
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.590

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

CAS#:764667-65-4

~74%

3-AMINO-1-(3-(T...

CAS#:847445-81-2

Literature: DR. REDDY'S LABORATORIES LIMITED; DR. REDDY'S LABORATORIES, INC. Patent: WO2009/85990 A2, 2009 ; Location in patent: Page/Page column 28 ;

Ammonia

CAS#:7664-41-7

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

CAS#:764667-65-4

3-AMINO-1-(3-(T...

CAS#:847445-81-2

Literature: GLENMARK GENERICS LIMITED Patent: WO2009/84024 A2, 2009 ; Location in patent: Page/Page column 23-24 ;

2,4,5-Trifluoro...

CAS#:209995-38-0

3-AMINO-1-(3-(T...

CAS#:847445-81-2

Literature: CADILA HEALTHCARE LIMITED Patent: US2011/213149 A1, 2011 ;

Precursor 3
CAS#:764667-65-4 (2Z)-4-Oxo-4-[3... CAS#:7664-41-7 Ammonia CAS#:209995-38-0 2,4,5-Trifluoro...
DownStream 3
CAS#:823817-56-7 rac-Sitagliptin CAS#:1253056-01-7 (R/S)-3-hydroxy... CAS#:486460-32-6 Sitagliptin

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

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

2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-

(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)-2-buten-1-one

(2E/Z)-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

2-Buten-1-one, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2Z)-

T56 AN CNN GN&TJ BXFFF GV1UYZ1R BF DF EF

3-Amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one

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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

Names

Chemical & Physical Properties

Synthetic Route

Precursor & DownStream

Synonyms