4-(Dimethylamino)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-(Dimethylamino)benzene-1-sulfonyl chloride
• CAS No.: 19715-49-2
• Molecular Formula: C8H10ClNO2S
• Molecular Weight: 219.692
• European Community (EC) Number: 834-795-8
• DSSTox Substance ID: DTXSID20500734
• Nikkaji Number: J1.469.776D
• Wikidata: Q72468836
• Mol file: 19715-49-2.mol

Synonyms:19715-49-2;4-(DIMETHYLAMINO)BENZENE-1-SULFONYL CHLORIDE;4-(dimethylamino)Benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(dimethylamino)-;p-(Dimethylamino)benzenesulfonyl chloride;SCHEMBL295564;DTXSID20500734;RTQAIFXZCMVBDT-UHFFFAOYSA-N;MFCD19200057;p-dimethylaminobenzenesulfonyl chloride;AKOS006333630;4-dimethylaminobenzenesulphonyl chloride;p-(Dimethylamino)benzenesulfonylchloride;SB79537;4-dimethylamino-benzenesulfonyl chloride;BS-13876;4-(dimethylamino)benzene-1-sulfonylchloride;CS-0158895;FT-0748087;4-(dimethylamino) benzene-1-sulfonyl Chloride;4-(Dimethylamino)benzene-1-sulfonyl chloride?;EN300-125596;H12017

Chemical Property of 4-(Dimethylamino)benzene-1-sulfonyl chloride

Chemical Property:

• Melting Point: 110℃
• Boiling Point: 320℃
• PKA: 0.53±0.24(Predicted)
• Flash Point: 148℃
• PSA: 45.76000
• Density: 1.338
• LogP: 2.76090
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.0120774
• Heavy Atom Count: 13
• Complexity: 250

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(dimethylamino)benzene-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Dimethylamino)benzene-1-sulfonyl chloride

There total 5 articles about 4-(Dimethylamino)benzene-1-sulfonyl 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: 92.0%

p-N,N-dimethylaminobenzenesulfonic acid (121-58-4) → 4-(dimethylamino)benzenesulfonyl chloride (19715-49-2)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; at 0 ℃;

DOI:10.1016/S0223-5234(01)01274-0

Reference yield:

N,N-dimethyl-aniline (121-69-7,77733-26-7) → 4-(dimethylamino)benzenesulfonyl chloride (19715-49-2)

Guidance literature:

With chlorosulfonic acid; sodium hydrogencarbonate; In dichloromethane; chloroform;

Reference yield:

4-bromo-N,N-dimethylaniline (586-77-6) → 4-(dimethylamino)benzenesulfonyl chloride (19715-49-2)

Guidance literature:

4-bromo-N,N-dimethylaniline; With iodine; magnesium; In tetrahydrofuran; for 1h; Heating;

With sulfur dioxide; In tetrahydrofuran; at -40 ℃; for 0.5h;

With sulfuryl dichloride; In tetrahydrofuran; at -40 - 20 ℃;

DOI:10.1021/jo034643j

upstream raw materials:

p-N,N-dimethylaminobenzenesulfonic acid

4-bromo-N,N-dimethylaniline

N,N-dimethyl-aniline

Downstream raw materials:

2-<<<4-(dimethylamino)phenyl>sulfonyl>oxy>benzaldehyde

allyl p-(dimethylamino)benzenesulfonate

N,N-dimethyl-4-(phenylsulfonyl) aniline

dimethyl-[4-(2-tridecyl-4-trityl-piperazine-1-sulfonyl)-phenyl]-amine

Refernces

• 1、 -. "BORON-CONTAINING SMALL MOLECULES". Page/Page column 134. . Retrieved 2012/06/05.
• 2、 -. "6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY". Page/Page column 60. . Retrieved 2008/12/08.