1-(Benzenesulfonyl)benzimidazole

Base Information

• Chemical Name: 1-(Benzenesulfonyl)benzimidazole
• CAS No.: 15728-43-5
• Molecular Formula: C13H10N2O2S
• Molecular Weight: 258.301
• DSSTox Substance ID: DTXSID50351438
• Nikkaji Number: J3.367.247K
• Wikidata: Q82127852
• ChEMBL ID: CHEMBL3112679
• Mol file: 15728-43-5.mol

Synonyms:1-(benzenesulfonyl)benzimidazole;15728-43-5;1-(phenylsulfonyl)-1H-benzimidazole;1H-Benzimidazole, 1-(phenylsulfonyl)-;1-(phenylsulfonyl)-1H-benzo[d]imidazole;CHEMBL3112679;Cambridge id 5172831;Oprea1_277951;Oprea1_448833;CBDivE_006222;1-phenylsulfonyl-benzimidazole;SCHEMBL422055;DTXSID50351438;HMS1578F14;BDBM50447076;STK828553;AKOS000805790;CCG-276731;WAY-133255;1-(benzenesulfonyl)-1H-1,3-benzodiazole;EU-0012176;AH-357/03453043;F1175-0508

Chemical Property of 1-(Benzenesulfonyl)benzimidazole

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 258.04629874
• Heavy Atom Count: 18
• Complexity: 384

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=NC3=CC=CC=C32

Technology Process of 1-(Benzenesulfonyl)benzimidazole

There total 6 articles about 1-(Benzenesulfonyl)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: 99.0%

benzoimidazole (51-17-2,79351-71-6) + benzenesulfonyl chloride (98-09-9) → 1-(phenylsulfonyl)-1H-benzo[d]imidazole (15728-43-5)

Guidance literature:

benzoimidazole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.333333h; Inert atmosphere;

benzenesulfonyl chloride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2011.06.084

Reference yield: 97.0%

benzoimidazole (51-17-2,79351-71-6) + sodium benzenesulfonate (873-55-2) → 1-(phenylsulfonyl)-1H-benzo[d]imidazole (15728-43-5)

Guidance literature:

With iodine; In 1,2-dichloro-ethane; at 25 ℃; for 16h;

DOI:10.1002/adsc.201400801

Reference yield: 87.0%

benzoimidazole (51-17-2,79351-71-6) + N-fluorobis(benzenesulfon)imide (133745-75-2) → 1-(phenylsulfonyl)-1H-benzo[d]imidazole (15728-43-5)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile; at 70 ℃; for 12h;

upstream raw materials:

benzoimidazole

benzenesulfonyl chloride

sodium benzenesulfonate

N-fluorobis(benzenesulfon)imide

Downstream raw materials:

1-(2-methoxyethyl)-1H-benzo[d]imidazole

(1H-benzo[d]imidazol-2-yl)(3,4,5-trimethoxyphenyl)-methanone

(1-(phenylsulfonyl)-1H-benzo[d]imidazol-2-yl)(3,4,5-trimethoxyphenyl)methanone

benzoimidazole