Benzenesulfonamide, N,N,4-trimethyl-

Base Information

• Chemical Name: Benzenesulfonamide, N,N,4-trimethyl-
• CAS No.: 599-69-9
• Molecular Formula: C9H13 N O2 S
• Molecular Weight: 199.274
• European Community (EC) Number: 209-971-7
• NSC Number: 2229
• UNII: AM7HU644XP
• DSSTox Substance ID: DTXSID9060520
• Nikkaji Number: J54.422A
• Wikidata: Q81989112
• Mol file: 599-69-9.mol

Synonyms:N,N,4-trimethylbenzenesulfonamide;599-69-9;N,N-DIMETHYL-P-TOLUENESULFONAMIDE;Benzenesulfonamide, N,N,4-trimethyl-;p-Toluenesulfonamide, N,N-dimethyl-;N,N-Dimethyl-p-toluenesulphonamide;4,N,N-Trimethyl-benzenesulfonamide;AI3-00815;N,N-Dimethyl p-toluenesulfonamide;NSC 2229;EINECS 209-971-7;BRN 1873124;Benzenesulfonamide, N,N-dimethyl-4-methyl-;NSC-2229;N,N,4-trimethylbenzene-1-sulfonamide;Enamine_005742;trimethylbenzenesulfonamide;AM7HU644XP;p-Toluenesulfonyldimethylamide;SCHEMBL82589;WLN: 1N1&SWR D1;DTXSID9060520;N,N,4-trimethylbenzenesulonamide;NSC2229;4,N,N-Trimethylbenzenesulfonamide;CHEBI:195024;HMS1410E22;N,N,4-Trimethyl-benzenesulfonamide;N,N-Dimethyl-p-toluene sulfonamide;MFCD00152452;STK016723;N,N,4-trimethyl-1-benzenesulfonamide;AKOS000277267;AM87088;IDI1_007977;N1,N1,4-trimethylbenzene-1-sulfonamide;BS-49629;N-[(4-Methylphenyl)sulfonyl]dimethylamine;LS-154132;CS-0197310;FT-0692385;EN300-136666;N11575;W-105291;Z45527547

Chemical Property of Benzenesulfonamide, N,N,4-trimethyl-

Chemical Property:

• Vapor Pressure: 0.0013mmHg at 25°C
• Melting Point: 152-153 °C
• Refractive Index: 1.5250 (estimate)
• Boiling Point: 298°Cat760mmHg
• PKA: -4.51±0.70(Predicted)
• Flash Point: 134°C
• PSA: 45.76000
• Density: 1.163g/cm³
• LogP: 2.32610
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

N,N,4-Trimethylbenzenesulfonamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)C

Technology Process of Benzenesulfonamide, N,N,4-trimethyl-

There total 49 articles about Benzenesulfonamide, N,N,4-trimethyl- 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%

sodium 4-methylbenzenesulfinate (824-79-3) + dimethyl amine (124-40-3) → N,N,4-trimethylbenzenesulfonamide (599-69-9)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; acetonitrile; at 50 ℃; for 8h;

DOI:10.1039/c4ra13454k

Reference yield: 92.0%

N,N,N,N,-tetramethylethylenediamine (110-18-9) + p-toluenesulfonyl chloride (98-59-9) → N,N,4-trimethylbenzenesulfonamide (599-69-9)

Guidance literature:

In acetonitrile; at 90 ℃; for 1h; Inert atmosphere;

Reference yield: 91.0%

N,N,N',N'',N'''-pentamethyldiethylenetriamine (3030-47-5) + p-toluenesulfonyl chloride (98-59-9) → N,N,4-trimethylbenzenesulfonamide (599-69-9)

Guidance literature:

With calcium hydride; In acetonitrile; at 90 ℃; for 1h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201800591

upstream raw materials:

methyl bromide

toluene-4-sulfonamide

methyl p-toluene sulfonate

dimethyl sulfate

Downstream raw materials:

ω-Dimethylamino-4-dimethylsulfamoyl-styrol

toluene-4-sulfonic acid

p--α-nitrotoluol

p--α,α-dibrom-α-nitro-toluol

Refernces

C-F activation reactions of (pentafluorophenyl)cyclopentadiene and 3-(pentafluorophenyl)indene with tetrakis(dimethylamido)titanium(IV)

10.1021/om034385g

The study investigates the reactions of 3-(pentafluorophenyl)indene and (pentafluorophenyl)cyclopentadiene with tetrakis(dimethylamido)titanium(IV), resulting in the formation of products where one or both ortho fluorines of the C6F5 group are replaced by dimethylamino groups. This suggests a titanium-mediated, intramolecular nucleophilic aromatic substitution mechanism. The research led to the isolation of organic products and the conversion of substituted cyclopentadiene to a ferrocene derivative. The study provides insights into the selective activation of polyfluorinated organic compounds, a significant challenge in synthetic chemistry, and contributes to the understanding of transition metal complex mechanisms for C-F activation.

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