4-Dimethylsulfamoyl-benzoyl chloride

Base Information

• Chemical Name: 4-Dimethylsulfamoyl-benzoyl chloride
• CAS No.: 29171-70-8
• Molecular Formula: C9H10ClNO3S
• Molecular Weight: 247.702
• Hs Code.: 2935009090
• European Community (EC) Number: 819-307-3
• DSSTox Substance ID: DTXSID40406082
• Wikidata: Q82210955
• Mol file: 29171-70-8.mol

Synonyms:29171-70-8;4-Dimethylsulfamoyl-benzoyl chloride;4-(dimethylsulfamoyl)benzoyl chloride;AKOS BBS-00000337;4-(N,N-dimethylsulfamoyl)benzoyl chloride;SCHEMBL2517845;DTXSID40406082;DSQVYIHTCRCCPC-UHFFFAOYSA-N;4-dimethylsulfamoylbenzoyl chloride;MFCD06496323;STL255751;AKOS000114249;4-(N,N-dimethylsulfamoyl)benzoylchloride;BB 0237926;EN300-138988;F1981-0023

Chemical Property of 4-Dimethylsulfamoyl-benzoyl chloride

Chemical Property:

• PSA: 62.83000
• LogP: 2.39670
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 247.0069920
• Heavy Atom Count: 15
• Complexity: 326

Purity/Quality:

97% ^*data from raw suppliers

4-Dimethylsulfamoyl-benzoyl chloride 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)Cl

Technology Process of 4-Dimethylsulfamoyl-benzoyl chloride

There total 2 articles about 4-Dimethylsulfamoyl-benzoyl chloride 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:

4-<(Dimethylamino)sulfonyl>benzoic Acid (1206-37-7) → 4-(N,N-dimethylaminosulfonyl)benzoyl chloride (29171-70-8)

Guidance literature:

With thionyl chloride;

DOI:10.1002/pol.1948.120030108

Reference yield:

→ 4-(N,N-dimethylaminosulfonyl)benzoyl chloride (29171-70-8)

Guidance literature:

Entspr. Saeure, SOCl2;

DOI:10.1021/jm00304a033

Reference yield: 85.0%

4-(N,N-dimethylaminosulfonyl)benzoyl chloride (29171-70-8) + C12H16N2 → N-(2-{2-azabicyclo[2.2.1]heptan-2-yl}phenyl)-4-(dimethylsulfamoyl)benzamide

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

upstream raw materials:

4-<(Dimethylamino)sulfonyl>benzoic Acid

Downstream raw materials:

1,4-bis-(4-dimethylsulfamoyl-benzoylamino)-anthraquinone

1-benzoylamino-4-(4-dimethylsulfamoyl-benzoylamino)-anthraquinone

4-Dimethylsulfamoyl-benzoic acid 4-dimethylamino-butyl ester

C₁₉H₁₇N₃O₆S₂