Account (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
- Catalog No. :
- ACPNJB793
- CAS No. :
- 1803026-58-5
- Molecular Formula :
- C16H12F6N4O
- Molecular Weight :
- 390.29
IUPAC 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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product 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 |
|---|---|
| IUPAC 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 |
| Molecular Formula | C16H12F6N4O |
| Molecular Weight | 390.29 |
| SMILES | O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C/C=C/C3=CC(F)=C(F)C=C3F |
| InChI Key | BLDAVCZELRQXFP-OWOJBTEDSA-N |
| Synonym | Sitagliptin impurity 7/Sitagliptin FP Impurity C/Sitagliptin Styryl Analogue/3-Desamino-3,4-Dehydro Sitagliptin/(3E)-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-on;BLDAVCZELRQXFP-OWOJBTEDSA-N;Sitagliptin Styrylacetyl Analogue;(E)-Sitagliptin Styrylacetyl Analog;Sitagliptin USP Styrylacetyl Analog;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)-;Sitagliptin Impurity 02;Sitagliptin Impurity G (styryl acetyl analogue) |
| CAS No. | 1803026-58-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACPNJB793 Molecular Building Block Synthetic Route
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
1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
(E)-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