5-Ethyl-4-methyl-1-phenyltriazole

Base Information

• Chemical Name: 5-Ethyl-4-methyl-1-phenyltriazole
• CAS No.: 51671-36-4
• Molecular Formula: C11H13 N3
• Molecular Weight: 187.241
• NSC Number: 133539
• DSSTox Substance ID: DTXSID20299893
• Wikidata: Q82042589
• Mol file: 51671-36-4.mol

Synonyms:51671-36-4;NSC133539;DTXSID20299893;NSC-133539

Chemical Property of 5-Ethyl-4-methyl-1-phenyltriazole

Chemical Property:

• Vapor Pressure: 0.000203mmHg at 25°C
• Boiling Point: 327.3°Cat760mmHg
• Flash Point: 151.8°C
• Density: 1.09g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(N=NN1C2=CC=CC=C2)C

Technology Process of 5-Ethyl-4-methyl-1-phenyltriazole

There total 2 articles about 5-Ethyl-4-methyl-1-phenyltriazole 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: 65.0%

pentan-3-one (96-22-0) + Phenyl azide (622-37-7) → 5-ethyl-4-methyl-1-phenyl-1H-1,2,3-triazole (51671-36-4)

Guidance literature:

With pyrrolidine; In dimethyl sulfoxide; at 80 ℃; for 20h;

DOI:10.1002/chem.201103393

Reference yield:

→ 5-ethyl-4-methyl-1-phenyl-1H-1,2,3-triazole (51671-36-4)

Guidance literature:

aus 5-Morpholino-4-methyl-5-ethyl-1-phenyl-4,5-dihydro-1,2,3-triazol (IId) und methanol.KOH;

DOI:10.1021/ja01065a022

upstream raw materials:

pentan-3-one

Phenyl azide

Refernces