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

Base Information

• Chemical Name: 4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide
• CAS No.: 140174-48-7
• Molecular Formula: C6H9N3O3S
• Molecular Weight: 203.222
• Hs Code.: 2935009090
• European Community (EC) Number: 808-834-4
• DSSTox Substance ID: DTXSID20439237
• Wikidata: Q82255151
• Mol file: 140174-48-7.mol

Synonyms:4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide;140174-48-7;4-formyl-N,N-dimethylimidazole-1-sulfonamide;N,N-Dimethyl 4-formyl-1H-imidazole-1-sulfonamide;1-(N,N-Dimethylsulphamoyl)-1H-imidazole-4-carboxaldehyde;SCHEMBL633115;DTXSID20439237;BBTZETLXNQDZKF-UHFFFAOYSA-N;MFCD09800947;AKOS015837494;BS-21399;CS-0135741;FT-0720140;E83284;4-formyl-imidazole-1-sulfonic acid dimethylamide;A885887;J-007365;4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide, AldrichCPR

Chemical Property of 4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide

Chemical Property:

• PSA: 80.65000
• LogP: 0.43090
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 203.03646233
• Heavy Atom Count: 13
• Complexity: 282

Purity/Quality:

95-99% ^*data from raw suppliers

4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)N1C=C(N=C1)C=O

Technology Process of 4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide

There total 3 articles about 4-Formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide 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: 94.0%

4(5)formylimidazole (3034-50-2) + dimethylamino sulfonyl chloride (13360-57-1) → 4-formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide (140174-48-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2012.06.060

Reference yield:

N,N-dimethyl-1H-imidazole-1-sulfonamide (78162-58-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide (140174-48-7)

Guidance literature:

N,N-dimethyl-1H-imidazole-1-sulfonamide; With ethylmagnesium bromide; In water;

N,N-dimethyl-formamide; With ethylmagnesium bromide;

DOI:10.1021/ol3005886

Reference yield:

1-dimethylsulfamoyl-5-imidazolecarboxaldehyde → 4-formyl-N,N-dimethyl-1H-imidazole-1-sulfonamide (140174-48-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 2h; Ambient temperature;

upstream raw materials:

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

N,N-dimethyl-formamide

4⁽⁵⁾formylimidazole

dimethylamino sulfonyl chloride

Downstream raw materials:

5-[((3-[1,3]dioxolan-2-yl-2,4-difluoro-phenyl)-ethyl-amino)-methyl]-imidazole-1-sulfonic acid dimethylamide

5-[(3-[1,3]dioxolan-2-yl-2,4-difluoro-phenylamino)-methyl]-imidazole-1-sulfonic acid dimethylamide

Refernces

• 1、 Hauwert, Niels J.,Mocking, Tamara A. M.,Da Costa Pereira, Daniel,Lion, Ken,Huppelschoten, Yara,Vischer, Henry F.,De Esch, Iwan J. P.,Wijtmans, Maikel,Leurs, Rob. "A Photoswitchable Agonist for the Histamine H3 Receptor, a Prototypic Family A G-Protein-Coupled Receptor". . p. 4531 - 4535. Retrieved 2019.
• 2、 -. "OXO-SUBSTITUTED COMPOUND". Paragraph 0297-0300. . Retrieved 2021/03/04.