2-(6-Methyl-2-pyridyl)benzimidazole

Base Information

• Chemical Name: 2-(6-Methyl-2-pyridyl)benzimidazole
• CAS No.: 6504-09-2
• Molecular Formula: C13H11N3
• Molecular Weight: 209.25
• NSC Number: 88120
• UNII: UF73TM3RPH
• DSSTox Substance ID: DTXSID70215361
• Nikkaji Number: J69.228J
• Wikidata: Q83091388
• ChEMBL ID: CHEMBL163524
• Mol file: 6504-09-2.mol

Synonyms:2-(6-Methyl-2-pyridyl)benzimidazole;6504-09-2;2-(6-methylpyridin-2-yl)-1H-benzimidazole;Benzimidazole, 2-(6-methyl-2-pyridyl)-;NSC 88120;NSC-88120;BRN 0611951;1H-benzimidazole, 2-(6-methyl-2-pyridinyl)-;NSC88120;UF73TM3RPH;CHEMBL163524;SCHEMBL11570157;DTXSID70215361;MFCD01658571;AKOS000365895;2-(2-benzimidazolyl)-6-methylpyridine;2-(6-methyl-2-pyridyl)-benzimidazole;2-(benzimidazol-2-yl)-6-methylpyridine;LS-33072;SY290042;2-(6-Methyl-2-pyridyl)-1H-benzimidazole;2-(6-methyl-2-pyridinyl)-1H-Benzimidazole;2-(6-Methylpyridin-2-yl)-1H-benzo[d]imidazole;5-26-02-00380 (Beilstein Handbook Reference);2-(6-METHYLPYRIDIN-2-YL)-1H-1,3-BENZODIAZOLE

Chemical Property of 2-(6-Methyl-2-pyridyl)benzimidazole

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Boiling Point: 431.8°Cat760mmHg
• Flash Point: 204.7°C
• Density: 1.231g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.095297364
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CC=C1)C2=NC3=CC=CC=C3N2

Technology Process of 2-(6-Methyl-2-pyridyl)benzimidazole

There total 5 articles about 2-(6-Methyl-2-pyridyl)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: 85.0%

6-methyl-2-pyridinecarboxylic acid (934-60-1) + 1,2-diamino-benzene (95-54-5) → 2-(6-methyl-2-pyridinyl)-1H-benzimidazole (6504-09-2)

Guidance literature:

With polyphosphoric acid; at 175 ℃; Inert atmosphere;

DOI:10.1016/j.ica.2015.03.021

Reference yield: 68.0%

2,6-dimethylpyridine (108-48-5) + 1,2-diamino-benzene (95-54-5) → 2-(6-methyl-2-pyridinyl)-1H-benzimidazole (6504-09-2)

Guidance literature:

With sulfur; at 170 ℃; for 10h;

DOI:10.1002/asia.201701303

Reference yield: 56.0%

2,6-dimethylpyridine (108-48-5) + 2-nitro-aniline (88-74-4) → 2-(6-methyl-2-pyridinyl)-1H-benzimidazole (6504-09-2)

Guidance literature:

With iron; sulfur; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ja311780a

upstream raw materials:

2,6-dimethylpyridine

2-nitro-aniline

1,2-diamino-benzene

6-methyl-2-pyridinecarboxylic acid

Downstream raw materials:

(2-(2-benzimidazolyl)-6-methylpyridine)(1,4-bis(diphenylphosphino)butane)copper(I)(ClO₄)

(2-(2-benzimidazolyl)-6-methylpyridine)(PPh₃)copper(I)(ClO₄)

C₃₁H₂₆BrCuN₃P