2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine

Base Information

• Chemical Name: 2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
• CAS No.: 681249-56-9
• Molecular Formula: C6H3F3N4
• Molecular Weight: 188.11000
• DSSTox Substance ID: DTXSID80693873
• Wikidata: Q82622849
• Mol file: 681249-56-9.mol

Synonyms:2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine;681249-56-9;2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-A];2-(Trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrazine;2-Trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrazine;SCHEMBL1620961;DTXSID80693873;AMY23775;AKOS006328750;AB52993;AC-30147;BS-49910;CS-0142791;N13387;2-(Trifluoromethyl)[1.2.4]triazolo[1,5-a]pyrazine;2-(Trifluoromethyl)[1,2,4]triazolo[1,5-alpha]pyrazine;2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-A]PYRAZINE,95+%

Chemical Property of 2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine

Chemical Property:

• PKA: -2.12±0.30(Predicted)
• PSA: 43.08000
• Density: 1.69±0.1 g/cm3(Predicted)
• LogP: 1.14310
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 188.03098060
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

99%, ^*data from raw suppliers

2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=NC(=N2)C(F)(F)F)C=N1

Technology Process of 2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine

There total 2 articles about 2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.8%

2,2,2-trifluoro-N’-hydroxy-N-pyrazin-2-ylacetimidamide (681249-55-8) → 2-(trifluoromethyl)-5,6,7,8-tetrahydrogen-[1,2,4]triazolo[1,5-α]pyrazine (681249-56-9)

Guidance literature:

With toluene-4-sulfonic acid; trifluoroacetic anhydride; In toluene; at 90 ℃; for 48h; Reagent/catalyst; Solvent; Temperature; Industrial scale;

Reference yield:

C6H5F3N4O (681249-55-8) → 2-(trifluoromethyl)-5,6,7,8-tetrahydrogen-[1,2,4]triazolo[1,5-α]pyrazine (681249-56-9)

Guidance literature:

With PPA; at 150 ℃; for 18h;

DOI:10.1016/j.bmcl.2007.07.100

Reference yield:

2-(trifluoromethyl)-5,6,7,8-tetrahydrogen-[1,2,4]triazolo[1,5-α]pyrazine (681249-56-9) → 2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine (681249-57-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 18h;

upstream raw materials:

2,2,2-trifluoro-N’-hydroxy-N-pyrazin-2-ylacetimidamide

C₆H₅F₃N₄O

Downstream raw materials:

2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

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