1-(6-chloro-1H-benzimidazol-2-yl)ethanone

Base Information

• Chemical Name: 1-(6-chloro-1H-benzimidazol-2-yl)ethanone
• CAS No.: 41510-16-1
• Molecular Formula: C9H7ClN2O
• Molecular Weight: 194.62
• Hs Code.: 2933990090
• European Community (EC) Number: 964-560-6
• Mol file: 41510-16-1.mol

Synonyms:1-(6-chloro-1H-benzimidazol-2-yl)ethanone;41510-16-1;STK502238;AKOS000321660;AKOS005260393;MCULE-6299790945;EN300-75223;1-(6-Chloro-1H-benzo[d]imidazol-2-yl)ethanone;1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one;1-(6-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one;1-(5-CHLORO-1H-1,3-BENZODIAZOL-2-YL)ETHANONE;Z1080312820

Chemical Property of 1-(6-chloro-1H-benzimidazol-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 4.91E-06mmHg at 25°C
• PSA: 45.75000
• LogP: 2.41890
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

98%min ^*data from raw suppliers

1-(6-Chloro-1H-benzimidazol-2-yl)ethanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=NC2=C(N1)C=C(C=C2)Cl

Technology Process of 1-(6-chloro-1H-benzimidazol-2-yl)ethanone

There total 7 articles about 1-(6-chloro-1H-benzimidazol-2-yl)ethanone 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: 71.0%

1-(5-chloro-1H-benzo[d]imidazo l-2-yl)ethan-1-ol (20033-96-9) → 1-(5-chloro-1H-benzo[d]imidazol-2-yl)-1-ethanone (41510-16-1)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide; In water; acetonitrile; for 0.5h;

DOI:10.1039/c8ra10338k

Reference yield: 63.0%

6-chloro-2-(α-hydroxyethyl)benzimidazole (20033-96-9) → 1-(6-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-one (41510-16-1)

Guidance literature:

With chromium(VI) oxide; acetic acid; In water; at 90 - 105 ℃; for 0.0833333h;

Reference yield:

4-Chloro-1,2-phenylenediamine (95-83-0) → 1-(5-chloro-1H-benzo[d]imidazol-2-yl)-1-ethanone (41510-16-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 24 h / Reflux

2: potassium dichromate; sulfuric acid / water / 2.33 h / 20 °C

With hydrogenchloride; potassium dichromate; sulfuric acid; In water;

DOI:10.1016/j.cclet.2010.06.017

upstream raw materials:

1-(5-chloro-1H-benzo[d]imidazo l-2-yl)ethan-1-ol

4-Chloro-1,2-phenylenediamine

5-chloro-2-nitroaniline

6-chloro-2-(α-hydroxyethyl)benzimidazole

Downstream raw materials:

1-(1-benzyl-5-chloro-1H-benzo[d]imidazol-2-yl)-1-ethanone

4-(5-chloro-1H-benzo[d]imidazol-2-yl)-1,3-thiazol-2-amine

C₁₆H₁₀ClN₃O₃

C₁₈H₁₅ClN₂O

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