1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-

Base Information

• Chemical Name: 1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
• CAS No.: 123914-19-2
• Molecular Formula: C11H13N3O2S2
• Molecular Weight: 283.375
• DSSTox Substance ID: DTXSID20395647
• Wikidata: Q82195844

Synonyms:123914-19-2;1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-;DTXSID20395647

Chemical Property of 1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.04491901
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)N1C=CN=C1SC2=CC=CC=C2

Technology Process of 1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-

There total 1 articles about 1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)- 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: 91.0%

N,N-dimethyl-1H-imidazole-1-sulfonamide (78162-58-0) + diphenyldisulfane (882-33-7) → 1-(N,N-dimethylsulfamoyl)-2-phenylthio-1H-imidazole (123914-19-2)

Guidance literature:

N,N-dimethyl-1H-imidazole-1-sulfonamide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -35 ℃;

diphenyldisulfane; In tetrahydrofuran; hexane; at -78 - 20 ℃; Further stages.;

DOI:10.1021/jo801256b

Reference yield: 91.0%

1-(N,N-dimethylsulfamoyl)-2-phenylthio-1H-imidazole (123914-19-2) → 1-(N,N-dimethylsulfamoyl)-5-iodo-2-phenylthio-1H-imidazole (1051373-76-2)

Guidance literature:

1-(N,N-dimethylsulfamoyl)-2-phenylthio-1H-imidazole; With n-butyllithium; In tetrahydrofuran; at -78 ℃;

With iodine; In tetrahydrofuran; at -78 - 20 ℃; regioselective reaction;

DOI:10.1016/j.tet.2010.04.070

Reference yield: 84.0%

1-(N,N-dimethylsulfamoyl)-2-phenylthio-1H-imidazole (123914-19-2) + formic acid ethyl ester (109-94-4) → bis-(1-dimethylsulphamoyl-2-phenylthioimidazol-5-yl)methanol (123914-20-5)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; 1.) -23 deg C, 4 h, 2.) -78 deg C -> 20 deg C, 12 h;

upstream raw materials:

N,N-dimethyl-1H-imidazole-1-sulfonamide

diphenyldisulfane

Downstream raw materials:

bis-(1-dimethylsulphamoyl-2-phenylthioimidazol-5-yl)methanol

2-phenylthio-5-(3-chloropropyl)-1-(N,N-dimethylsulfamoyl)imidazole

4,5-dibromo-1H-pyrrole-2-carboxylic acid [3-(2-phenylsulfanyl-3H-imidazol-4-yl)propyl]amide

2-phenylthio-5-(3-chloropropyl)-1-(N,N-dimethylsulfamoyl)imidazole

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