4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid

Base Information

Chemical Name:4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid
CAS No.:1028307-57-4
Molecular Formula:C₁₇H₁₇N₅O₄
Molecular Weight:355.353
Hs Code.:
DSSTox Substance ID:DTXSID801142017
Pharos Ligand ID:VB9NYMAQP25R
ChEMBL ID:CHEMBL1835663

Synonyms:CHEMBL1835663;SCHEMBL12779220;DTXSID801142017;BDBM50355474;4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid;1028307-57-4

Suppliers and Price of 4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid

Supply Marketing:

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

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Chemical Property of 4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:355.12805404
Heavy Atom Count:26
Complexity:474

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)NC2=NN(C(=N2)N)C3=CC=C(C=C3)C(=O)O)OC

Technology Process of 4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid

There total 2 articles about 4-[5-Amino-3-[(3,4-dimethoxyphenyl)amino]-1H-1,2,4-triazol-1-yl]benzoic acid 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:

: 6315-89-5
3,4-dimethoxyaniline

: 1028307-57-4
C₁₇H₁₇N₅O₄

Guidance literature:: Multi-step reaction with 2 steps

1: isopropyl alcohol / 100 °C

2: Heating

In isopropyl alcohol;
DOI:10.1021/jm200712h