3-Amino-4-methylbenzenesulfonamide

Base Information

• Chemical Name: 3-Amino-4-methylbenzenesulfonamide
• CAS No.: 6274-28-8
• Molecular Formula: C7H10N2O2S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• NSC Number: 36968
• DSSTox Substance ID: DTXSID80284366
• Nikkaji Number: J2.491.331G
• Wikidata: Q82019286
• Mol file: 6274-28-8.mol

Synonyms:3-amino-4-methylbenzenesulfonamide;6274-28-8;3-Amino-4-methyl-benzenesulfonamide;Benzenesulfonamide, 3-amino-4-methyl-;3-amino-4-methylbenzene-1-sulfonamide;3-Amino-4-Methylbenzene Sulfonamide;NSC36968;o-aminotoluene-p-sulphonamide;SCHEMBL588896;DTXSID80284366;AMY25043;BCP29079;GS1134;MFCD00188937;NSC 36968;NSC-36968;STK298711;AKOS000310008;AS-39295;A8672;BB 0220613;CS-0109618;FT-0636059;EN300-41201;Z275128530

Chemical Property of 3-Amino-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 5.7E-07mmHg at 25°C
• Melting Point: 176 °C
• Refractive Index: 1.609
• Boiling Point: 411.2 °C at 760 mmHg
• PKA: 10.46±0.60(Predicted)
• Flash Point: 202.5 °C
• PSA: 94.56000
• Density: 1.359 g/cm³
• LogP: 2.58690
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -0.6
• 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:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N)N
• Uses: 3-Amino-4-methylbenzenesulfonamide is a diuretic agent.

Technology Process of 3-Amino-4-methylbenzenesulfonamide

There total 6 articles about 3-Amino-4-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:

4-methyl-3-nitrobenzenesulfonamide (6949-23-1) → 3-amino-4-methylbenzenesulfonamide (6274-28-8)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol; at 20 ℃; for 6h;

Reference yield:

→ 3-amino-4-methylbenzenesulfonamide (6274-28-8)

Guidance literature:

With ammonium sulfide;

Reference yield:

2-acetylamino-toluene-4-sulfonic acid amide (17485-44-8) → 3-amino-4-methylbenzenesulfonamide (6274-28-8)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2-acetylamino-toluene-4-sulfonic acid amide

o-toluidine hydrochloride

2-acetylamino-toluene-4-sulfonyl chloride

N-(2-methylphenyl)acetamide

Downstream raw materials:

3-(tert-butoxycarbonyl)amino-4-methylbenzenesulfonamide

Refernces

• 1、 -. "7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF". Page/Page column 41. . Retrieved 2008/06/13.