2-benzylsulfanyl-5-phenyl-1H-imidazole

Base Information

• Chemical Name: 2-benzylsulfanyl-5-phenyl-1H-imidazole
• CAS No.: 6297-94-5
• Molecular Formula: C16H14N2S
• Molecular Weight: 266.367
• NSC Number: 45838
• DSSTox Substance ID: DTXSID70286450
• Wikidata: Q82022178

Synonyms:2-benzylsulfanyl-5-phenyl-1H-imidazole;6297-94-5;NSC 45838;NSC45838;SCHEMBL6629853;DTXSID70286450;NSC-45838

Chemical Property of 2-benzylsulfanyl-5-phenyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 4.74E-10mmHg at 25°C
• Boiling Point: 497.9°Cat760mmHg
• Flash Point: 254.9°C
• Density: 1.25g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 266.08776963
• Heavy Atom Count: 19
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=NC=C(N2)C3=CC=CC=C3

Technology Process of 2-benzylsulfanyl-5-phenyl-1H-imidazole

There total 3 articles about 2-benzylsulfanyl-5-phenyl-1H-imidazole 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:

ethanol (64-17-5) + chloroform (67-66-3,8013-54-5) + S-benzylisothiourea hydrochloride (538-28-3,860511-29-1) → dibenzyl disulphide (150-60-7) + 2-benzylsulfanyl-1-phenylethanone (2408-88-0) + 2-benzylsulfanyl-4-phenyl-1(3)H-imidazole (6297-94-5) + 2-(2-benzylmercapto-4-phenyl-imidazol-1-yl)-1-phenyl-ethanone (247224-05-1)

Guidance literature:

DOI:10.1021/ja01188a033

Reference yield:

S-benzylisothiourea hydrochloride (538-28-3,860511-29-1) + α-bromoacetophenone (70-11-1) → 2-benzylsulfanyl-4-phenyl-1(3)H-imidazole (6297-94-5)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1021/ja01188a033

Reference yield:

4-phenyl-1,3-dihydro-2H-imidazole-2-thione (6857-34-7) + benzyl bromide (100-39-0) → 2-benzylsulfanyl-4-phenyl-1(3)H-imidazole (6297-94-5)

Guidance literature:

DOI:10.1002/jsfa.2740090305

upstream raw materials:

4-phenyl-1,3-dihydro-2H-imidazole-2-thione

benzyl bromide

S-benzylisothiourea hydrochloride

α-bromoacetophenone

Downstream raw materials:

2-(2-benzylmercapto-4-phenyl-imidazol-1-yl)-1-phenyl-ethanone

2-benzylmercapto-1-methyl-4-phenyl-1H-imidazole

1-methyl-4-phenyl-1,3-dihydroimidazole-2-thione

N-methyl-4-phenylimidazole

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