4-[Acetyl(methyl)amino]benzenesulfonyl chloride

Base Information

• Chemical Name: 4-[Acetyl(methyl)amino]benzenesulfonyl chloride
• CAS No.: 39169-92-1
• Molecular Formula: C9H10ClNO3S
• Molecular Weight: 247.702
• European Community (EC) Number: 871-685-9
• NSC Number: 159468
• DSSTox Substance ID: DTXSID50303634
• Wikidata: Q82049013
• Mol file: 39169-92-1.mol

Synonyms:39169-92-1;4-(N-METHYLACETAMIDO)BENZENE-1-SULFONYL CHLORIDE;4-[acetyl(methyl)amino]benzenesulfonyl chloride;NSC159468;4-(acetyl-methyl-amino)-benzenesulfonyl chloride;4-(N-acetyl-N-methylamino)benzenesulfonyl chloride;SCHEMBL3067655;DTXSID50303634;FJXBSNLZPGJSAT-UHFFFAOYSA-N;MFCD10037346;AKOS000732351;NSC-159468;NS-03621;4-(n-methylacetamido)benzenesulfonyl chloride;CS-0147274;EN300-91596;E85647;A824438;4-(N-acetyl-N-methylamino) benzenesulfonyl chloride;4-(N-METHYLACETAMIDO)BENZENE-1-SULFONYLCHLORIDE

Chemical Property of 4-[Acetyl(methyl)amino]benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Boiling Point: 371°Cat760mmHg
• Flash Point: 178.2°C
• Density: 1.393g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.0069920
• Heavy Atom Count: 15
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-[Acetyl(methyl)amino]benzenesulfonyl chloride

There total 5 articles about 4-[Acetyl(methyl)amino]benzenesulfonyl 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: 65.0%

N-acetyl-N-methylaniline (579-10-2) → 4-(N-acetyl-N-methylamino)benzenesulfonyl chloride (39169-92-1)

Guidance literature:

With chlorosulfonic acid; at 20 - 75 ℃; for 3.66667h; Cooling with ice;

DOI:10.1021/acs.jmedchem.7b01530

Reference yield:

2-aminoindane hydrochloride (2338-18-3) → 4-(N-acetyl-N-methylamino)benzenesulfonyl chloride (39169-92-1) + N-(2-indanyl)-4-(N-acetyl-N-methylamino)benzenesulfonamide

Guidance literature:

Reference yield:

chlorosulfonic acid (7790-94-5) + N-acetyl-N-methylaniline (579-10-2) → 4-(N-acetyl-N-methylamino)benzenesulfonyl chloride (39169-92-1)

Guidance literature:

at 70 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jm9014197

upstream raw materials:

N-acetyl-N-methylaniline

2-aminoindane hydrochloride

chlorosulfonic acid

Downstream raw materials:

N-(1-benzyl-4-piperidinyl)-4-(N-acetyl-N-methylamino)benzenesulfonamide