2-octyl-1H-benzimidazole

Base Information

• Chemical Name: 2-octyl-1H-benzimidazole
• CAS No.: 13060-24-7
• Molecular Formula: C15H22N2
• Molecular Weight: 230.353
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80364859
• Nikkaji Number: J873.048B
• Wikidata: Q72456237
• ChEMBL ID: CHEMBL170771
• Mol file: 13060-24-7.mol

Synonyms:2-OCTYLBENZIMIDAZOLE;2-octyl-1H-benzimidazole;13060-24-7;CHEMBL170771;2-octyl-1H-1,3-benzodiazole;1H-Benzimidazole, 2-octyl-;2-Octyl-1H-benzoimidazole;octylbenzimidazole;SCHEMBL2951078;DTXSID80364859;BDBM50404938;MFCD00441310;STL300752;AKOS000635033;BS-14959;CS-0152263;FT-0656319;E76409;A806109;BRD-K94294699-001-01-5

Chemical Property of 2-octyl-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 2.24E-06mmHg at 25°C
• Melting Point: 144 °C
• Refractive Index: 1.565
• Boiling Point: 404.3 °C at 760 mmHg
• PKA: 11.99±0.10(Predicted)
• Flash Point: 197.9 °C
• PSA: 28.68000
• Density: 1.014 g/cm³
• LogP: 4.46590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 230.178298710
• Heavy Atom Count: 17
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

2-OCTYL-1H-BENZIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1=NC2=CC=CC=C2N1

Technology Process of 2-octyl-1H-benzimidazole

There total 8 articles about 2-octyl-1H-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: 90.0%

C15H24N2O → 2-n-octylbenzimidazole (13060-24-7)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In toluene; for 3h; Reflux;

DOI:10.1039/C8RA07773H

Reference yield: 86.0%

nonan-1-al (124-19-6) + 1,2-diamino-benzene (95-54-5) → 2-n-octylbenzimidazole (13060-24-7)

Guidance literature:

With choline chloride; oxalic acid; at 30 ℃; for 7h;

Reference yield: 84.0%

nonan-1-al (124-19-6) + 2-amino-1-benzylamine (4403-69-4) → 2-n-octylbenzimidazole (13060-24-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; In dichloromethane; at 20 ℃; for 1h; chemoselective reaction;

DOI:10.1016/j.tetlet.2017.01.099

upstream raw materials:

nonanoic acid

1,2-diamino-benzene

nonan-1-al

1-nonyne