4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile

Base Information

Chemical Name:4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile
CAS No.:118618-40-9
Molecular Formula:C10H8N4
Molecular Weight:184.2
Hs Code.:
ChEMBL ID:CHEMBL1824769
DSSTox Substance ID:DTXSID30557234
Nikkaji Number:J3.622.036H
Wikidata:Q82439080
Mol file:118618-40-9.mol

Synonyms:CHEMBL1824769;118618-40-9;4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile;SCHEMBL9156641;DTXSID30557234;BDBM50351855

Suppliers and Price of 4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.074896272
Heavy Atom Count:14
Complexity:224

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN2C=CN=N2)C#N

Technology Process of 4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile

There total 3 articles about 4-[(1H-1,2,3-Triazol-1-yl)methyl]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: 99.0%

: 84466-87-5
4-(azidomethyl)benzonitrile

: 74-86-2,25067-58-7
acetylene

: 118618-40-9
4-((1H-1,2,3-triazol-1-yl)methyl)benzonitrile

Guidance literature:: With sodium L-ascorbate; In water; at 90 ℃; for 16h; Schlenk technique;
DOI:10.1021/acs.oprd.8b00429

Reference yield: 52.0%

: 288-36-8
1,2,3-triazole

: 17201-43-3
4-cyanobenzyl bromide

: 1334667-51-4
2-(4-cyanophenylmethyl)-2H-1,2,3-triazole

: 118618-40-9
4-((1H-1,2,3-triazol-1-yl)methyl)benzonitrile

Guidance literature:: With potassium carbonate; potassium iodide; In acetone; Inert atmosphere; Reflux;
DOI:10.1016/j.ejmech.2011.05.074

Reference yield:

: 151-50-8
potassium cyanide

: 99590-26-8
1-(p-amino-benzyl)-1H-1,2,3-triazole

: 118618-40-9
4-((1H-1,2,3-triazol-1-yl)methyl)benzonitrile

Guidance literature:: With potassium carbonate; sodium nitrite; Yield given. Multistep reaction; 1.) 6M HCl, H₂O, 0-5 deg C, 15 min; 2.) 0-5 deg C; 3.) water, 110 deg C, 1 h;