2-(O-tolyl)-1H-benzo[d]imidazole

Base Information

• Chemical Name: 2-(O-tolyl)-1H-benzo[d]imidazole
• CAS No.: 2963-64-6
• Molecular Formula: C14H12 N2
• Molecular Weight: 208.263
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20183809
• Nikkaji Number: J41.300C
• Wikidata: Q83054641
• ChEMBL ID: CHEMBL1509958
• Mol file: 2963-64-6.mol

Synonyms:2-(O-tolyl)-1H-benzo[d]imidazole;2963-64-6;2-o-Tolyl-1H-benzoimidazole;2-(2-methylphenyl)-1H-benzimidazole;Benzimidazole, 2-(o-tolyl)-;2-(o-Tolyl)benzimidazole;2-(2-methylphenyl)-1H-1,3-benzodiazole;BRN 0160871;1H-BENZIMIDAZOLE, 2-(2-METHYLPHENYL)-;5-23-08-00507 (Beilstein Handbook Reference);2-n-tolylbenzimidazole;2-O-Tolyl-benZimidaZole;MLS000122760;SCHEMBL3170855;2-(o-tolyl)-1H-benzoimidazole;2-O-TOLYL-BENZOIMIDAZOLE;CHEMBL1509958;2-o-tolyl-1H-benzo[d]imidazole;DTXSID20183809;HMS2186D18;CAA96364;CCG-15109;MFCD00453934;STK864731;AKOS000275490;NCGC00245369-01;2-(2-methylphenyl)-1h-benzo[d]imidazole;LS-33210;SMR000120209;BB 0219538;EU-0033493;EN300-16232;SR-01000389457;SR-01000389457-1;Z50129869;F0405-0222

Chemical Property of 2-(O-tolyl)-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 6.65E-07mmHg at 25°C
• Boiling Point: 409.1°C at 760 mmHg
• Flash Point: 215.7°C
• PSA: 28.68000
• Density: 1.178g/cm³
• LogP: 3.53830
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

98% ^*data from raw suppliers

2-(o-tolyl)-1H-benzo[d]imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NC3=CC=CC=C3N2

Technology Process of 2-(O-tolyl)-1H-benzo[d]imidazole

There total 52 articles about 2-(O-tolyl)-1H-benzo[d]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: 99.0%

2-nitro-aniline (88-74-4) + 2-methylphenyl aldehyde (529-20-4) → 2-(2-methylphenyl)benzimidazole (2963-64-6)

Guidance literature:

With hydrogen; In ethyl acetate; at 60 ℃; for 20h; under 7500.75 Torr; Autoclave; Green chemistry;

DOI:10.1002/cssc.202002344

Reference yield: 97.0%

2-methylphenyl aldehyde (529-20-4) + 1,2-Dinitrobenzene (528-29-0) → 2-(2-methylphenyl)benzimidazole (2963-64-6)

Guidance literature:

With hydrogen; In ethyl acetate; at 70 ℃; for 20h; under 7500.75 Torr; Autoclave; Green chemistry;

DOI:10.1002/cssc.202002344

Reference yield: 95.0%

ortho-methylbenzoic acid (118-90-1) + 1,2-diamino-benzene (95-54-5) → 2-(2-methylphenyl)benzimidazole (2963-64-6)

Guidance literature:

With trifluoromethylsulfonic anhydride; Triphenylphosphine oxide; In 1,2-dichloro-ethane; at 25 ℃; for 0.5h;

DOI:10.1021/jo00266a028

upstream raw materials:

N-(2-methylbenzoyl)-2-nitroanilide

2-methylphenyl aldehyde

1,2-diamino-benzene

o-Methyl-dithiobenzoesaeure

Downstream raw materials:

2-(2-methyl-6-((triisopropylsilyl)ethynyl)phenyl)-1H-benzo[d]imidazole

1-methyl-6-phenylbenzo[4,5]imidazo[2,1-a]isoquinoline

N-vinyl-2-(o-tolyl)benzimidazole