8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine

Base Information

• Chemical Name: 8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
• CAS No.: 4931-20-8
• Molecular Formula: C13H11N3
• Molecular Weight: 209.25
• NSC Number: 73367
• DSSTox Substance ID: DTXSID70964206
• Nikkaji Number: J101.803E
• Wikidata: Q82946145
• Mol file: 4931-20-8.mol

Synonyms:4931-20-8;8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine;8-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyridine;NSC73367;SCHEMBL21041198;DTXSID70964206;NSC-73367;s-Triazolo[1, 8-methyl-2-phenyl-

Chemical Property of 8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine

Chemical Property:

• PSA: 30.19000
• Density: 1.19g/cm³
• LogP: 2.70470
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CN2C1=NC(=N2)C3=CC=CC=C3

Technology Process of 8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine

There total 5 articles about 8-Methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine 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: 95.0%

N-(3-methylpyridin-2-yl)benzimidamide (4931-10-6) → 8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine (4931-20-8)

Guidance literature:

With iodine; potassium carbonate; potassium iodide; In dimethyl sulfoxide; at 20 - 100 ℃;

DOI:10.1021/acs.joc.5b01183

Reference yield: 88.0%

3-methylpyridin-2-ylamine (1603-40-3) + benzonitrile (100-47-0) → 8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine (4931-20-8)

Guidance literature:

With air; copper-zinc supported on Al₂O₃-TiO₂; In 1,2-dichloro-benzene; at 140 ℃; for 20h; Green chemistry;

DOI:10.1039/c3ra47029f

Reference yield: 44.0%

benzonitrile (100-47-0) + 3-methyl-N-aminopyridinium mesitylenesulfonate (55899-02-0) → 8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine (4931-20-8)

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; for 24h;

DOI:10.1002/jhet.5570440428

upstream raw materials:

benzonitrile

3-methyl-N-aminopyridinium mesitylenesulfonate

3-methylpyridin-2-ylamine

N-(3-methylpyridin-2-yl)benzimidamide

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