1-(5-Methyl-1H-benzimidazol-2-YL)ethanone

Base Information

• Chemical Name: 1-(5-Methyl-1H-benzimidazol-2-YL)ethanone
• CAS No.: 50832-46-7
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.1992
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20588658
• Wikidata: Q82481473
• Mol file: 50832-46-7.mol

Synonyms:50832-46-7;1-(5-methyl-1H-benzo[d]imidazol-2-yl)ethanone;1-(5-METHYL-1H-BENZIMIDAZOL-2-YL)ETHANONE;1-(6-methyl-1H-benzimidazol-2-yl)ethanone;1-(6-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one;F2101-0112;Ethanone, 1-(5-methyl-1H-benzimidazol-2-yl)- (9CI);SCHEMBL26241758;DTXSID20588658;MFCD09880350;STL285066;AKOS000275489;AKOS009462263;AT16466;MCULE-4031455518;BS-38106;DB-287127;EN300-75224;1-(6-Methyl-1H-benzimidazol-2-yl)ethan-1-one;Ethanone, 1-(5-methyl-1H-benzimidazol-2-yl)-;1-(5-methyl-1H-benzo[d]imidazol-2-yl)ethan-1-one;1-(6-Methyl-1H-benzo[d]imidazol-2-yl)ethan-1-one;1-(5-METHYL-1H-1,3-BENZODIAZOL-2-YL)ETHANONE;Z1080312836

Chemical Property of 1-(5-Methyl-1H-benzimidazol-2-YL)ethanone

Chemical Property:

• Vapor Pressure: 2.22E-05mmHg at 25°C
• Melting Point: 170-172 °C(Solv: ethyl acetate (141-78-6))
• Refractive Index: 1.639
• Boiling Point: 360.5°C at 760 mmHg
• PKA: 10.49±0.10(Predicted)
• Flash Point: 175.6°C
• PSA: 45.75000
• Density: 1.219g/cm³
• LogP: 2.07390
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98% ^*data from raw suppliers

1-(6-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(N2)C(=O)C

Technology Process of 1-(5-Methyl-1H-benzimidazol-2-YL)ethanone

There total 4 articles about 1-(5-Methyl-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: 80.0%

1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1-ethanol (20033-97-0) → 1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1-ethanone (50832-46-7)

Guidance literature:

With potassium dichromate; sulfuric acid; In water; at 20 ℃; for 2.33333h;

DOI:10.1248/cpb.58.953

Reference yield:

4-methyl-1,2-diaminobenzene (496-72-0) → 1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1-ethanone (50832-46-7)

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

Reference yield:

5-methyl-2-nitroaniline (578-46-1) → 1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1-ethanone (50832-46-7)

Guidance literature:

Multi-step reaction with 3 steps

1: palladium on activated charcoal; hydrogen / 30 °C

2: hydrogenchloride / water / 5 h / 90 °C

3: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide; sodium hypochlorite / water; acetonitrile / 0.5 h

With hydrogenchloride; sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; palladium on activated charcoal; hydrogen; potassium bromide; In water; acetonitrile;

DOI:10.1039/c8ra10338k

upstream raw materials:

1-(5-methyl-1H-benzo[d]imidazol-2-yl)-1-ethanol

4-methyl-1,2-diaminobenzene

5-methyl-2-nitroaniline

Downstream raw materials:

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

1-(1,5-dimethyl-1H-benzo[d]imidazol-2-yl)-1-ethanone

C₁₇H₁₄N₂O

C₁₉H₁₈N₂O

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