4-AMINO-N-METHYL-BENZENESULFONAMIDE

Base Information

• Chemical Name: 4-AMINO-N-METHYL-BENZENESULFONAMIDE
• CAS No.: 1709-52-0
• Molecular Formula: C7H10 N2 O2 S
• Molecular Weight: 186.235
• Hs Code.: 29350090
• European Community (EC) Number: 672-075-3
• NSC Number: 137232
• UNII: EU92A49HM9
• DSSTox Substance ID: DTXSID30168965
• Nikkaji Number: J590.811F
• Wikidata: Q72439115
• ChEMBL ID: CHEMBL343918
• Mol file: 1709-52-0.mol

Synonyms:Sulfanilamide,N1-methyl- (6CI,7CI,8CI); 4-(Methylaminosulfonyl)aniline;4-(N-Methylaminosulfonyl)aniline; 4-Amino-N-methylbenzenesulfonamide;N-Methyl-4-aminobenzenesulfonamide; N-Methyl-p-aminobenzenesulfonamide;N1-Methylsulfanilamide; NSC 137232; p-Amino-N-methylbenzenesulfonamide

Chemical Property of 4-AMINO-N-METHYL-BENZENESULFONAMIDE

Chemical Property:

• Vapor Pressure: 2.42E-05mmHg at 25°C
• Melting Point: 111 °C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 359.2°Cat760mmHg
• PKA: 12.38±0.30(Predicted)
• Flash Point: 171°C
• PSA: 80.57000
• Density: 1.308g/cm³
• LogP: 2.22980
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: 17.6g/L(37 oC)
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.04629874
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

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

4-Amino-N-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-AMINO-N-METHYL-BENZENESULFONAMIDE

There total 13 articles about 4-AMINO-N-METHYL-BENZENESULFONAMIDE 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: 100.0%

N-methyl-4-nitro-benzenesulfonamide (6319-45-5) → N-methyl-4-aminobenzenesulfonamide (1709-52-0)

Guidance literature:

With hydrogen; nickel; In methanol; at 25 ℃; for 20h; under 258.6 Torr;

DOI:10.1021/jm970036a

Reference yield: 98.0%

methanol (67-56-1) + sulfanilamide (63-74-1) → N-methyl-4-aminobenzenesulfonamide (1709-52-0)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)ruthenium(III)]; bis[2-(diphenylphosphino)phenyl] ether; lithium tert-butoxide; at 40 ℃; for 24h;

DOI:10.1021/acscatal.5b00606

Reference yield: 87.0%

→ N-methyl-4-aminobenzenesulfonamide (1709-52-0)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; water;

upstream raw materials:

N-methyl-4-(acetamido)benzenesulfonamide

N-methyl-4-nitro-benzenesulfonamide

N-methyl-N'-(4-methylsulfamoyl-phenyl)-succinamide

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

4,4'-dithiobis-N-methylbenzenesulfonamide

4-isothiocyanato-N-methylbenzenesulfonamide

4-(1,2-Dimethylimidazol-5-yl)-2-[4-(N-methylsulphamoyl)anilino]pyrimidine

C₁₂H₁₀ClF₃N₄O₂S

Refernces

• 1、 Cao, Di,Chen, Fan,Cheng, Hao,Huang, Cong,Li, Zhi-Ling,Liang, Bin,Nan, Jun,Sun, Kai,Wang, Ai-Jie. "Ordered mesoporous carbon as an efficient heterogeneous catalyst to activate peroxydisulfate for degradation of sulfadiazine". supporting information. . Retrieved 2022/01/26.
• 2、 -. "NLRP MODULATORS". Page/Page column 346; 352-353. . Retrieved 2020/01/31.