1H-Benzimidazole, 2-[2-(methylthio)phenyl]-

Base Information

• Chemical Name: 1H-Benzimidazole, 2-[2-(methylthio)phenyl]-
• CAS No.: 62871-44-7
• Molecular Formula: C14H12N2S
• Molecular Weight: 240.329
• DSSTox Substance ID: DTXSID00487554
• Nikkaji Number: J3.262.118J
• Wikidata: Q82329647

Synonyms:62871-44-7;1H-Benzimidazole, 2-[2-(methylthio)phenyl]-;SCHEMBL10333235;DTXSID00487554;HWGYOPQINUYWBK-UHFFFAOYSA-N;AKOS017769452;2-(2-Methylthiophenyl)-1H-benzimidazole

Chemical Property of 1H-Benzimidazole, 2-[2-(methylthio)phenyl]-

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.07211956
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=CC=C1C2=NC3=CC=CC=C3N2

Technology Process of 1H-Benzimidazole, 2-[2-(methylthio)phenyl]-

There total 3 articles about 1H-Benzimidazole, 2-[2-(methylthio)phenyl]- 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: 61.0%

2-(methylsulfanyl)benzaldehyde (7022-45-9) + 1,2-diamino-benzene (95-54-5) → 2-(2'-(methylthio)phenyl)benzimidazole (62871-44-7)

Guidance literature:

With N-hydroxyphthalimide; air; cobalt(II) acetate; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1080/00397910802162959

Reference yield:

2-methylsulfanyl-benzoyl chloride (1442-03-1) + 1,2-diamino-benzene (95-54-5) → 2-(2'-(methylthio)phenyl)benzimidazole (62871-44-7)

Guidance literature:

With PPA;

Reference yield:

→ 2-(2'-(methylthio)phenyl)benzimidazole (62871-44-7)

Guidance literature:

2-Methylmercaptobenzoesaeure XXXVI, 1,2-Diaminobenzol, Polyphosphorsaeure (Meth. B);

upstream raw materials:

2-methylsulfanyl-benzoyl chloride

1,2-diamino-benzene

2-(methylsulfanyl)benzaldehyde

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