4-Chloro-N-methyl-N-phenylbenzenesulfonamide

Base Information

• Chemical Name: 4-Chloro-N-methyl-N-phenylbenzenesulfonamide
• CAS No.: 16358-34-2
• Molecular Formula: C13H12 Cl N O2 S
• Molecular Weight: 281.7579
• NSC Number: 671294,119668
• DSSTox Substance ID: DTXSID30936843
• Wikidata: Q82913053
• Mol file: 16358-34-2.mol

Synonyms:4-Chloro-N-methyl-N-phenylbenzenesulfonamide;16358-34-2;NSC671294;4-Chloro-N-methyl-N-phenylbenzene-1-sulfonamide;NSC119668;Cambridge id 5347324;TimTec1_000956;SCHEMBL11181741;DTXSID30936843;HMS1536L10;STK019107;AKOS001315103;NSC-119668;NSC-671294;NCGC00174942-01;Benzenesulfonanilide, 4-chloro-N-methyl-;4-chloro-N-methyl-N-phenyl-benzenesulfonamide;AB00081899-01;AK-968/11165143;BRD-K17649955-001-01-3;Z45510357

Chemical Property of 4-Chloro-N-methyl-N-phenylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 9.55E-07mmHg at 25°C
• Boiling Point: 404.3°Cat760mmHg
• Flash Point: 198.3°C
• Density: 1.347g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.0277275
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Chloro-N-methyl-N-phenylbenzenesulfonamide

There total 2 articles about 4-Chloro-N-methyl-N-phenylbenzenesulfonamide 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: 90.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 4-chloro-N-methyl-N-phenylbenzenesulfonamide (16358-34-2)

Guidance literature:

With cadmium sulphide; In ethanol; water; at 25 - 28 ℃; for 0.25h; Irradiation;

DOI:10.1021/acs.joc.0c02263

Reference yield:

→ 4-chloro-N-methyl-N-phenylbenzenesulfonamide (16358-34-2)

Guidance literature:

Sulfonylchlorid, Amin;

DOI:10.1021/jo00401a005

Reference yield: 98.0%

4-chloro-N-methyl-N-phenylbenzenesulfonamide (16358-34-2) + ethylmagnesium chloride (2386-64-3) → 4-ethyl-N-methyl-N-phenylbenzenesulfonamide (691369-96-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃; for 0.166667h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.8b02886

upstream raw materials:

N,N-dimethyl-aniline

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

4-ethyl-N-methyl-N-phenylbenzenesulfonamide

Refernces