4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile

Base Information

Chemical Name:4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile
CAS No.:916151-00-3
Molecular Formula:C10H6N4O
Molecular Weight:198.184
Hs Code.:
DSSTox Substance ID:DTXSID10581794
Wikidata:Q82473052

Synonyms:916151-00-3;4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile;4-(4-formyltriazol-1-yl)benzonitrile;Benzonitrile, 4-(4-formyl-1H-1,2,3-triazol-1-yl)-;DTXSID10581794

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:198.05416083
Heavy Atom Count:15
Complexity:276

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)N2C=C(N=N2)C=O

Technology Process of 4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile

There total 3 articles about 4-(4-Formyl-1H-1,2,3-triazol-1-yl)benzonitrile 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: 75.0%

: 50704-41-1
2-diazo-malonaldehyde

: 2570-98-1
4-aminobenzonitrile hydrochloride

: 916151-00-3
4-carboxaldehyde-1-(4-cyanophenyl)-1H-1,2,3-triazole

Guidance literature:: In water; at 20 ℃; for 24h;
DOI:10.1016/j.bmc.2006.08.019

Reference yield: 75.0%

: 916151-00-3
4-carboxaldehyde-1-(4-cyanophenyl)-1H-1,2,3-triazole

Guidance literature:

Reference yield:

: 1126635-75-3
4-(4-(hydroxymethyl)-1H-1,2,3-triazole-1-yl)benzonitrile

: 916151-00-3
4-carboxaldehyde-1-(4-cyanophenyl)-1H-1,2,3-triazole

Guidance literature:: 4-(4-(hydroxymethyl)-1H-1,2,3-triazole-1-yl)benzonitrile; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -50 ℃; for 0.25h; Inert atmosphere;

With triethylamine; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ol1003127