(E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one(SitagliptinImpurity)

Modify Date: 2024-05-01 19:35:21

(E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one(SitagliptinImpurity) Structure
(E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one(SitagliptinImpurity) structure
Common Name (E)-1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-3-en-1-one(SitagliptinImpurity)
CAS Number 1803026-58-5 Molecular Weight 390.283
Density 1.5±0.1 g/cm3 Boiling Point 504.1±60.0 °C at 760 mmHg
Molecular Formula C16H12F6N4O Melting Point N/A
MSDS N/A Flash Point 258.7±32.9 °C

 Names

Name (3E)-1-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-3-buten-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 504.1±60.0 °C at 760 mmHg
Molecular Formula C16H12F6N4O
Molecular Weight 390.283
Flash Point 258.7±32.9 °C
Exact Mass 390.091522
LogP 2.22
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.565
Storage condition 2-8°C
Water Solubility Insuluble (1.3E-3 g/L) (25 ºC)

 Synonyms

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