4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol

Base Information

• Chemical Name: 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
• CAS No.: 223645-69-0
• Molecular Formula: C14H12N4O2
• Molecular Weight: 268.275
• DSSTox Substance ID: DTXSID50420739
• Nikkaji Number: J1.086.626J
• Wikidata: Q82232035
• ChEMBL ID: CHEMBL1705913
• Mol file: 223645-69-0.mol

Synonyms:223645-69-0;4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol;4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]phenol;4-[4-amino-5-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]phenol;MLS000544883;CHEMBL1705913;DTXSID50420739;HMS2750K17;MFCD02082689;AKOS005078986;SMR000126640;11P-672;3,5-Bis(4-hydroxyphenyl)-4H-1,2,4-triazole-4-amine

Chemical Property of 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol

Chemical Property:

• PSA: 96.67000
• LogP: -0.30690
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.09602564
• Heavy Atom Count: 20
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

4-[4-Amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(N2N)C3=CC=C(C=C3)O)O

Technology Process of 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol

There total 1 articles about 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol 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: 96.0%

4-cyanophenol (767-00-0) → 4,4’-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (223645-69-0)

Guidance literature:

With hydrazine dihydrochloride; hydrazine hydrate; In ethylene glycol; at 130 ℃; for 0.166667h; microwave irradiation;

DOI:10.1016/S0040-4039(99)02350-3

Reference yield: 98.0%

4,4’-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (223645-69-0) → C14H11N3O2

Guidance literature:

With hypophosphorous acid; sodium nitrite; at 20 ℃; for 1h;

DOI:10.1002/jhet.5570390113

Reference yield: 89.0%

1-bromo-butane (109-65-9) + 4,4’-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (223645-69-0) → 3,5-di(4-butoxyphenyl)-4-amino-1,2,4-triazole

Guidance literature:

With potassium carbonate; In acetone; for 20h; Reflux;

DOI:10.1016/j.tet.2016.06.013

upstream raw materials:

4-cyanophenol

Downstream raw materials:

3,5-bis(4-methoxyphenyl)-4-amino-1,2,4-triazole