2-phenyl-2H-1,2,3-triazole-4-carbonitrile

Base Information

• Chemical Name: 2-phenyl-2H-1,2,3-triazole-4-carbonitrile
• CAS No.: 36386-83-1
• Molecular Formula: C9H6N4
• Molecular Weight: 170.17100
• DSSTox Substance ID: DTXSID40391762
• Wikidata: Q82189462
• ChEMBL ID: CHEMBL4528018
• Mol file: 36386-83-1.mol

Synonyms:2-phenyl-2H-1,2,3-triazole-4-carbonitrile;2-phenyltriazole-4-carbonitrile;36386-83-1;2-phenyl-2h-[1,2,3]triazole-4-carbonitrile;2-phenyl-1,2,3-triazole-4-carbonitrile;SCHEMBL4503007;CHEMBL4528018;DTXSID40391762;AKOS009311697;EN300-62460;Z381355168

Chemical Property of 2-phenyl-2H-1,2,3-triazole-4-carbonitrile

Chemical Property:

• PSA: 54.50000
• LogP: 1.13898
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 170.059246208
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

2-PHENYL-2H-1,2,3-TRIAZOLE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2N=CC(=N2)C#N

Technology Process of 2-phenyl-2H-1,2,3-triazole-4-carbonitrile

There total 15 articles about 2-phenyl-2H-1,2,3-triazole-4-carbonitrile 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: 97.0%

potassium cyanide (151-50-8) + 1-methoxy-2-phenyl-1,2,3-triazolium tetrafluoroborate → 2-phenyl-1,2,3-triazole-4-carbonitrile (36386-83-1)

Guidance literature:

In acetonitrile; for 72h;

DOI:10.1039/P19810000503

Reference yield: 82.0%

2-phenyl-1,2,3-triazole-4-carboxaldehyde (3213-80-7) → 2-phenyl-1,2,3-triazole-4-carbonitrile (36386-83-1)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; at 95 ℃; for 9h;

Reference yield: 46.0%

KP-23194 (51337-55-4) → 2-phenyl-1,2,3-triazole-4-carbonitrile (36386-83-1)

Guidance literature:

With lead(IV) acetate; In N,N-dimethyl-formamide; acetonitrile; at 0 - 5 ℃; for 2h;

upstream raw materials:

(E)-2-phenyl-2H-1,2,3-triazole-4-carbaldehyde oxime

phenylhydrazono-malonaldehyde-dioxime

acetic anhydride

potassium cyanide

Downstream raw materials:

4-amino-4-(2-phenyl-2H-[1,2,3]triazol-4-yl)-but-3-en-2-one

5-(2-phenyl-1,2,3-triazol-4-yl)tetrazole

2-(2,4-dinitro-phenyl)-2H-[1,2,3]triazole-4-carboxylic acid

5-(2-phenyl-1,2,3-triazol-4-yl)tetrazole

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