2-(3-chlorophenyl)-1H-imidazole

Base Information

• Chemical Name: 2-(3-chlorophenyl)-1H-imidazole
• CAS No.: 27423-81-0
• Molecular Formula: C9H7 Cl N2
• Molecular Weight: 178.621
• NSC Number: 245204
• DSSTox Substance ID: DTXSID70311776
• Nikkaji Number: J1.453.543H
• Wikidata: Q82061787
• ChEMBL ID: CHEMBL555501
• Mol file: 27423-81-0.mol

Synonyms:2-(3-chlorophenyl)-1H-imidazole;27423-81-0;2-(3-Chlorophenyl)imidazole;2-(3-CHLORO-PHENYL)-1H-IMIDAZOLE;NSC245204;CHEMBL555501;SCHEMBL1688559;DTXSID70311776;CBA42381;AC5779;MFCD08668737;AKOS010226066;NSC 245204;NSC-245204;NCGC00374421-01;SY057710;A918393;A1-15698

Chemical Property of 2-(3-chlorophenyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 1.13E-05mmHg at 25°C
• Boiling Point: 381.2°Cat760mmHg
• Flash Point: 216.3°C
• PSA: 28.68000
• Density: 1.292g/cm³
• LogP: 2.73010
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.0297759
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-(3-CHLORO-PHENYL)-1H-IMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=NC=CN2

Technology Process of 2-(3-chlorophenyl)-1H-imidazole

There total 6 articles about 2-(3-chlorophenyl)-1H-imidazole 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: 95.0%

2-(3-chlorophenyl)-4,5-dihydro-1H-imidazole (27429-86-3) → 2-(m-chlorophenyl)imidazole (27423-81-0)

Guidance literature:

With potassium permanganate; silica gel; In acetonitrile; at 20 ℃; for 2.5h;

DOI:10.1016/j.tetlet.2004.09.139

Reference yield: 92.0%

m-Chlorobenzoyl chloride (618-46-2) + ethylenediamine (107-15-3,85404-18-8) → 2-(m-chlorophenyl)imidazole (27423-81-0)

Guidance literature:

With H₆[PMo₉V₃O₄₀]; In acetonitrile; at 90 ℃;

DOI:10.1080/00397910902730978

Reference yield: 12.45%

1H-imidazole (288-32-4) + 3-chloro-aniline (108-42-9) → 2-(m-chlorophenyl)imidazole (27423-81-0)

Guidance literature:

3-chloro-aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 10 ℃;

1H-imidazole; With sodium acetate; at 5 - 20 ℃;

DOI:10.1016/j.ejmech.2008.08.010

upstream raw materials:

chlorobenzene

2-Diazo-2H-imidazole

2-(3-chlorophenyl)-4,5-dihydro-1H-imidazole

3-chloro-benzonitrile

Downstream raw materials:

C₁₆H₁₀ClN₃O₃

Refernces

• 1、 Kargar, Hadi,Moghadam, Majid,Mirkhani, Valiollah,Tangestaninejad, Shahram,Mohammadpoor-Baltork, Iraj,Rezaei, Simindokht. "Multi-wall carbon nanotube supported manganese(III) porphyrin: An efficient and reusable catalyst for oxidation of 2-imidazolines with sodium periodate". . p. 1 - 5. Retrieved 2013/08/24.
• 2、 Kargar, Hadi,Moghadam, Majid,Mirkhani, Valiollah,Tangestaninejad, Shahram,Mohammadpoor-Baltork, Iraj,Nameni, Iman. "Dehydrogenation of 2-imidazolines with sodium periodate catalyzed by manganese(III) tetraphenylporphyrin". experimental part. p. 2146 - 2148. Retrieved 2011/04/24.