1-Butyl-2-methylbenzimidazole

Base Information

• Chemical Name: 1-Butyl-2-methylbenzimidazole
• CAS No.: 4887-85-8
• Molecular Formula: C12H16 N2
• Molecular Weight: 188.272
• NSC Number: 345180
• DSSTox Substance ID: DTXSID30319415
• Wikidata: Q82075877
• ChEMBL ID: CHEMBL4870103
• Mol file: 4887-85-8.mol

Synonyms:4887-85-8;NSC 345180;1-butyl-2-methylbenzimidazole;HMS1674P15;NSC345180;SCHEMBL1022300;1-n-butyl-2-methylbenzimidazole;CHEMBL4870103;DTXSID30319415;1-butyl-2-methyl-1H-benzimidazole;STL565160;AKOS000560008;NSC-345180;Z57114915

Chemical Property of 1-Butyl-2-methylbenzimidazole

Chemical Property:

• Vapor Pressure: 0.000365mmHg at 25°C
• Boiling Point: 328.3°C at 760 mmHg
• Flash Point: 152.4°C
• PSA: 17.82000
• Density: 1.03g/cm³
• LogP: 3.14480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C(=NC2=CC=CC=C21)C

Technology Process of 1-Butyl-2-methylbenzimidazole

There total 4 articles about 1-Butyl-2-methylbenzimidazole 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: 95.0%

1-bromo-butane (109-65-9) + 2-Methyl-1H-benzimidazole (615-15-6) → 1-butyl-2-methyl-1H-benzo[d]imidazole (4887-85-8)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 0.333333h; Micellar solution;

DOI:10.1016/j.tet.2018.08.029

Reference yield: 91.0%

1-bromo-butane (109-65-9) + 2-Methyl-1H-benzimidazole (615-15-6) + bis-[2-(N-benzyl-N,N-diethylammonium)ethyl]ether, dichloride → 1-butyl-2-methyl-1H-benzo[d]imidazole (4887-85-8)

Guidance literature:

With sodium hydroxide; In toluene;

Reference yield: 83.0%

C12H17BrN2 (1195791-07-1) → 1-butyl-2-methyl-1H-benzo[d]imidazole (4887-85-8)

Guidance literature:

With copper(II) oxide; potassium hydroxide; In dimethyl sulfoxide; at 110 ℃; for 5h;

DOI:10.1021/jo901813g

upstream raw materials:

1-bromo-butane

2-Methyl-1H-benzimidazole

C₁₂H₁₇BrN₂

Downstream raw materials:

C₂₄H₂₄N₂

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