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Basic information
- CAS
486460-21-3- Standard SMILES
FC(F)(F)c1nnc2n1CCNC2- InChIKey
FMTDZGCPYKWMPT-UHFFFAOYSA-N- Molecular formula
- C6H7F3N4
- Average molar mass
- 192.144 g/mol
- Monoisotopic mass
- 192.06228088
Names & identifiers
- Preferred name
- 3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE
- IUPAC
- 3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
- English name
- 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
- Molecular formula
- C6H7F3N4
- Molecular weight
- 192.14
Names & synonyms
3-Trifluoromethyl-5,6,7,8...TAP-4 (Sitagliptin IntermediatTAP-4 (Sitagliptin Intermediate)3-(TrifluoroMethyl)-5,6,7,8-tetrahydro-[1,2,4]3-trifluoro methyl-[1,2,4]triazole[4,3-a]piperazine3-(Trifluoromethyl)[1,2,4]triazolo[4,3-a]piperazine3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a...3-(TrifluoroMethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyra3-(Trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazine Hydrochloride
Database identifiers
- CAS
486460-21-3- PubChem CID
- 10176489
- DTXSID
DTXSID00436426- ChEMBL
CHEMBL6198358- UNII
- QCQ69WVE7J
- EC Number
- 610-429-0
- Nikkaji
- J2.159.799F
Properties
Physicochemical properties
- Boiling point
- 266 · 266∶C
- Density
- 1.72 · 1.72
- Flash point
- 115 · 115∶C
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- solid
- pka
- 6.27 · 6.27±0.20(Predicted)
- color
- Yellow
- CAS DataBase Reference
- 486460 · 486460-21-3(CAS DataBase Reference)
- FDA UNII
- 69 WVE7J · QCQ69WVE7J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is primarily used as an important intermediate in organic synthesis. The introduction of the trifluoromethyl group imparts excellent chemical and thermal stability to this compound, allowing it to react under relatively harsh conditions. Furthermore, it possesses certain biological and pharmacological activities, making it a potential candidate compound for drug development. Therefore, it has wide applications in organic synthesis, materials science, and drug development.
Preparation methods
Preparation3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is synthesized from 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[3,3-a]pyrazine hydrochloride via a dehydration reaction under alkaline conditions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
16 records
Compound notes
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