5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide

Base Information

Chemical Name:5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide
CAS No.:114370-69-3
Molecular Formula:C₁₀H₉ClN₄O
Molecular Weight:236.661
Hs Code.:
DSSTox Substance ID:DTXSID10552520
Wikidata:Q82432829
Mol file:114370-69-3.mol

Synonyms:114370-69-3;5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide;DTXSID10552520

Suppliers and Price of 5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:236.0464886
Heavy Atom Count:16
Complexity:257

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C(=NN=C2C(=O)N)CCl

Technology Process of 5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide

There total 2 articles about 5-(Chloromethyl)-4-phenyl-4H-1,2,4-triazole-3-carboxamide 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: 59.0%

: 132349-82-7
C₈H₁₀N₄O

: 79-04-9
chloroacetyl chloride

: 114370-69-3
5-Chloromethyl-4-phenyl-4H-[1,2,4]triazole-3-carboxylic acid amide

Guidance literature:: In acetonitrile; for 0.25h; Heating;

Reference yield:

: 90345-46-3
2-(phenylamino)-2-thiooxoacetamide

: 114370-69-3
5-Chloromethyl-4-phenyl-4H-[1,2,4]triazole-3-carboxylic acid amide

Guidance literature:: Multi-step reaction with 2 steps

1: 55 percent / 50percent H₂N-NH₂*H₂O / ethanol / 0.25 h / Heating

2: 59 percent / acetonitrile / 0.25 h / Heating

With hydrazine hydrate; In ethanol; acetonitrile;