4-Amino-3-methylbenzenesulfonamide

Base Information

• Chemical Name: 4-Amino-3-methylbenzenesulfonamide
• CAS No.: 53297-70-4
• Molecular Formula: C7H10N2O2S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID40201418
• Wikidata: Q72486666
• Mol file: 53297-70-4.mol

Synonyms:4-Amino-3-methylbenzenesulfonamide;53297-70-4;3-Methyl-4-aminobenzensulfonamide;4-Amino-3-Methylbenzensulfonamide;3-Methyl-4-aminobenzenesulfonamide;4-Amino-3-methyl-Benzenesulfonamide;Benzenesulfonamide, 4-amino-3-methyl-;4-amino-3-methylbenzene-1-sulfonamide;2-methyl-4-sulfamoylaniline;2-methyl-4-sulphamoylaniline;SCHEMBL878966;DTXSID40201418;4-Amino-3-methylbenzenesulphonamide;AMY23269;4-Amino-3-Methyl Benzenesulfonamide;MFCD00466840;AKOS010017008;CS-W022072;DS-0092;L-Asparticaciddimethyl esterhydrochloride;AC-16754;TS-00232;FT-0640144;EN300-45420;4-amino-3-methylbenzenesulfonamide, AldrichCPR;A18854

Chemical Property of 4-Amino-3-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.56E-07mmHg at 25°C
• Melting Point: 174 °C
• Refractive Index: 1.609
• Boiling Point: 409.3 °C at 760 mmHg
• PKA: 10.19±0.60(Predicted)
• Flash Point: 201.3 °C
• PSA: 94.56000
• Density: 1.359 g/cm³
• LogP: 2.58690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 186.04629874
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-3-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 4-Amino-3-methylbenzenesulfonamide

There total 7 articles about 4-Amino-3-methylbenzenesulfonamide 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-[4-(aminosulfonyl)-2-methylphenyl]acetamide (252562-03-1) → 4-amino-3-methylbenzenesulfonamide (53297-70-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 80 ℃;

DOI:10.1016/j.bmcl.2012.01.047

Reference yield:

C10H15N3O2S → 4-amino-3-methylbenzenesulfonamide (53297-70-4)

Guidance literature:

C₁₀H₁₅N₃O₂S; With lithium hydroxide; water; In methanol; at 50 ℃; for 5h;

With hydrogenchloride; In methanol; water; at 25 ℃; for 0.25h; pH=9;

Reference yield:

4-(acetylamino)-3-methylbenzenesulfonyl chloride (14988-21-7) → 4-amino-3-methylbenzenesulfonamide (53297-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₄OH / tetrahydrofuran / 0.33 h / 20 °C

2: aq. HCl / ethanol / 1 h / Heating

With hydrogenchloride; ammonium hydroxide; In tetrahydrofuran; ethanol;

DOI:10.1021/jm030255y

upstream raw materials:

N-[4-(aminosulfonyl)-2-methylphenyl]acetamide

4-(acetylamino)-3-methylbenzenesulfonyl chloride

2-aminotoluene-5-sulfonic acid

Downstream raw materials:

6-chloro-pyrimidine-4-carboxylic acid (2-methyl-4-sulfamoyl-phenyl)-amide

3-(5-(5-(2-methyl-1H-imidazol-1-yl)thiophen-2-yl)-1-(2-methyl-4-sulfamoylphenyl)-1H-pyrrol-2-yl)propanoic acid

C₂₆H₂₂ClN₃O₅S

C₂₆H₂₂ClN₃O₅S