2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone

Base Information

• Chemical Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone
• CAS No.: 27097-09-2
• Molecular Formula: C16H14N2OS
• Molecular Weight: 282.36000
• DSSTox Substance ID: DTXSID50395357
• Wikidata: Q82195404
• ChEMBL ID: CHEMBL196209

Synonyms:2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone;27097-09-2;Oprea1_391563;CHEMBL196209;DTXSID50395357;STK744384;AKOS001726404;EU-0085543

Chemical Property of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone

Chemical Property:

• PSA: 71.05000
• LogP: 3.84630
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.08268425
• Heavy Atom Count: 20
• Complexity: 341

Purity/Quality:

2-(1H-BENZIMIDAZOL-2-YLSULFANYL)-1-(4-METHYLPHENYL)ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2

Technology Process of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone

There total 9 articles about 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone 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: 89.0%

Benzimidazol-2-thiol (134469-07-1) + 4-(bromoacetyl)toluene (619-41-0) → 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(p-tolyl)ethan-1-one (27097-09-2)

Guidance literature:

Benzimidazol-2-thiol; With sodium carbonate; In ethanol; water; at 20 ℃;

4-(bromoacetyl)toluene; In ethanol; water; at 20 ℃;

DOI:10.1016/j.jfluchem.2009.12.022

Reference yield:

2-((2-oxo-2-(p-tolyl)ethyl)thio)-1H-benzo[d]imidazol-3-ium sulfate salt → 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(p-tolyl)ethan-1-one (27097-09-2)

Guidance literature:

In water; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2015.09.023

Reference yield:

para-methylacetophenone (122-00-9) + Benzimidazol-2-thiol (134469-07-1) → 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(p-tolyl)ethan-1-one (27097-09-2)

Guidance literature:

With sulfuric acid; acetic acid; for 3h; Heating;

DOI:10.1016/0040-4020(96)00569-8

upstream raw materials:

para-methylacetophenone

Benzimidazol-2-thiol

3-aminothiazolo[3,2-a]benzimidazole-2-carbonitrile

2-Mercaptobenzothiazole

Downstream raw materials:

3-(4-methylphenyl)thiazolo[3,2-a]benzimidazole

3-(1H-benzimidazol-2-ylthio)-2-(4-tolyl)quinoline-4-carboxylic acid

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