1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone

Base Information

• Chemical Name: 1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone
• CAS No.: 881672-80-6
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• Hs Code.: 2933990090
• European Community (EC) Number: 806-848-5
• DSSTox Substance ID: DTXSID10468652
• Nikkaji Number: J3.159.437E
• Wikidata: Q82295968
• Mol file: 881672-80-6.mol

Synonyms:881672-80-6;1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone;1-(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)ethan-1-one;Ethanone, 1-(5,6-dimethyl-1H-benzimidazol-2-yl)-;SCHEMBL5918216;DTXSID10468652;AKOS012322506;SS-6004;CS-0330682;F17899;A862302;1-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)ethan-1-one

Chemical Property of 1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone

Chemical Property:

• PSA: 45.75000
• LogP: 2.38230
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N=C(N2)C(=O)C

Technology Process of 1-(5,6-Dimethyl-1H-benzimidazol-2-yl)ethanone

There total 2 articles about 1-(5,6-Dimethyl-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: 75.0%

1-(5,6-Dimethyl-2-benzimidazolyl)-aethanol (6761-87-1) → 1-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)ethanone (881672-80-6)

Guidance literature:

With chromium(VI) oxide; acetic acid; In water; at 90 - 100 ℃; for 0.0833333h;

DOI:10.1016/j.dyepig.2010.08.005

Reference yield:

4,5-dimethyl-1,2-phenylenediamine (3171-45-7) → 1-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)ethanone (881672-80-6)

Guidance literature:

Multi-step reaction with 2 steps

2: chromium(VI) oxide; acetic acid / water / 0.08 h / 90 - 100 °C

With chromium(VI) oxide; acetic acid; In water; 1: Phillips condensation;

DOI:10.1016/j.dyepig.2010.08.005

Reference yield: 70.0%

ethyl 4-bromo-3-methylcrotonate (51318-62-8,51371-55-2,26918-14-9) + 1-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)ethanone (881672-80-6) → 2,4,7,8-tetramethyl-3-ethoxycarbonylpyrido[1,2-a]benzimidazole (1255651-29-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1016/j.dyepig.2010.08.005

upstream raw materials:

4,5-dimethyl-1,2-phenylenediamine

1-(5,6-Dimethyl-2-benzimidazolyl)-aethanol

Downstream raw materials:

2,4,7,8-tetramethyl-3-ethoxycarbonylpyrido[1,2-a]benzimidazole

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