2-butyl-5,6-dichloro-1H-1,3-benzimidazole

Base Information

• Chemical Name: 2-butyl-5,6-dichloro-1H-1,3-benzimidazole
• CAS No.: 133052-59-2
• Molecular Formula: C11H12Cl2N2
• Molecular Weight: 243.13
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID70568687
• Wikidata: Q82455012
• Mol file: 133052-59-2.mol

Synonyms:133052-59-2;2-butyl-5,6-dichloro-1H-1,3-benzimidazole;2-Butyl-5,6-dichloro-1H-benzimidazole;2-Butyl-5,6-dichloro-1H-benzo[d]imidazole;2-butyl-5,6-dichloro-1H-1,3-benzodiazole;SCHEMBL7559296;DTXSID70568687;MFCD08064759;AKOS005073432;MB-0732;1H-Benzimidazole, 2-butyl-5,6-dichloro-;CS-0334445;A909030;J-508573

Chemical Property of 2-butyl-5,6-dichloro-1H-1,3-benzimidazole

Chemical Property:

• Vapor Pressure: 5.68E-07mmHg at 25°C
• Melting Point: 149-151°
• Refractive Index: 1.623
• Boiling Point: 423°Cat760mmHg
• Flash Point: 242.2°C
• PSA: 28.68000
• Density: 1.315g/cm³
• LogP: 4.21230
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 242.0377538
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99%, ^*data from raw suppliers

2-Butyl-5,6-dichloro-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=NC2=CC(=C(C=C2N1)Cl)Cl

Technology Process of 2-butyl-5,6-dichloro-1H-1,3-benzimidazole

There total 1 articles about 2-butyl-5,6-dichloro-1H-1,3-benzimidazole 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:

4,5-Dichloro-1,2-phenylenediamine (5348-42-5) + ethyl acetate n-hexane + ethyl valerimidate (999-09-7) → 2-butyl-5,6-dichlorobenzimidazole (133052-59-2)

Guidance literature:

Reference yield:

Methyl 4-(bromomethyl)benzoate (2417-72-3) + 2-butyl-5,6-dichlorobenzimidazole (133052-59-2) → 4-(2-Butyl-5,6-dichloro-benzoimidazol-1-ylmethyl)-benzoic acid methyl ester (133052-60-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1021/jm00083a011

Reference yield:

2-butyl-5,6-dichlorobenzimidazole (133052-59-2) → 4-[(2-butyl-5,6-dichloro-1H-benzimidazol-1-yl)methyl]benzoic acid (133052-42-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethylformamide / 3 h / 100 °C

2: aq. NaOH / ethanol / 3 h / Heating

With sodium hydroxide; potassium carbonate; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm00083a011

upstream raw materials:

4,5-Dichloro-1,2-phenylenediamine

ethyl valerimidate

Downstream raw materials:

4-(2-Butyl-5,6-dichloro-benzoimidazol-1-ylmethyl)-benzoic acid methyl ester

4-[(2-butyl-5,6-dichloro-1H-benzimidazol-1-yl)methyl]benzoic acid

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