4-Chloro-2-(1H-imidazol-1-yl)phenol

Base Information

• Chemical Name: 4-Chloro-2-(1H-imidazol-1-yl)phenol
• CAS No.: 61292-68-0
• Molecular Formula: C₉H₇ClN₂O
• Molecular Weight: 194.62
• ChEMBL ID: CHEMBL4847785
• DSSTox Substance ID: DTXSID90500822
• Wikidata: Q82352768
• Mol file: 61292-68-0.mol

Synonyms:61292-68-0;4-Chloro-2-(1H-imidazol-1-yl)phenol;CHEMBL4847785;4-chloro-2-imidazol-1-ylphenol;DTXSID90500822;RYUORQLHTYZCJV-UHFFFAOYSA-N;4-chloro-2-(1-imidazolyl)-phenol;BDBM50575451

Chemical Property of 4-Chloro-2-(1H-imidazol-1-yl)phenol

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N2C=CN=C2)O

Technology Process of 4-Chloro-2-(1H-imidazol-1-yl)phenol

There total 3 articles about 4-Chloro-2-(1H-imidazol-1-yl)phenol 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:

1-(5-chloro-2-methoxyphenyl)-1H-imidazole (61292-67-9) → 4-chloro-2-(1H-imidazole-1-yl)phenol (61292-68-0)

Guidance literature:

With hydrogen bromide; In water; at 100 ℃; for 14h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c01968

Reference yield:

4-chloro-2-iodo-1-methoxybenzene (52807-27-9) → 4-chloro-2-(1H-imidazole-1-yl)phenol (61292-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; caesium carbonate; N,N-dimethylethylenediamine / N,N-dimethyl-formamide / 12 h / 140 °C / Inert atmosphere

2: hydrogen bromide / water / 14 h / 100 °C / Inert atmosphere

With copper(l) iodide; hydrogen bromide; caesium carbonate; N,N-dimethylethylenediamine; In water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.0c01968

Reference yield:

→ 4-chloro-2-(1H-imidazole-1-yl)phenol (61292-68-0)

Guidance literature:

Ether 6, HBr;

upstream raw materials:

4-chloro-2-iodo-1-methoxybenzene

1-(5-chloro-2-methoxyphenyl)-1H-imidazole