5-Amino-2-methylbenzenesulfonamide

Base Information

• Chemical Name: 5-Amino-2-methylbenzenesulfonamide
• CAS No.: 6973-09-7
• Molecular Formula: C7H10N2O2S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• European Community (EC) Number: 691-180-5
• NSC Number: 36969
• DSSTox Substance ID: DTXSID40284367
• Nikkaji Number: J2.596.122F
• Wikidata: Q72439123
• Mol file: 6973-09-7.mol

Synonyms:5-amino-2-methylbenzenesulfonamide;6973-09-7;3-Amino-6-methylbenzenesulfonamide;2-methyl-5-aminobenzene sulfonamide;Benzenesulfonamide, 5-amino-2-methyl-;5-amino-2-methylbenzene-1-sulfonamide;MFCD06681071;5-amino-2-methyl-benzenesulfonamide;NSC36969;p-Aminotoluol-sulfonamid;SCHEMBL342932;3-Amino-6-methylbenzenesulfonam;Amino-2-methylbenzenesulfonamide;DTXSID40284367;3-(aminosulfonyl)-4-methylaniline;2-methyl-5-amino benzenesulfonamide;3-amino-6-methyl-benzenesulfonamide;5-amino-2-methyl benzenesulfonamide;BCP23176;CS-B0767;NSC 36969;NSC-36969;STL363259;AKOS000123046;3-AMINOSULFONYL-4-METHYLANILINE;PB18742;AC-24855;AS-14160;SY003683;5-AMINO-2-METHYLBENZENE-SULFONAMIDE;AM20061065;FT-0658813;EN300-12407;5-Amino-2-methylbenzenesulfonamide, AldrichCPR;A836624;A1-01694;Q-103465;Z89270697;F9995-0234

Chemical Property of 5-Amino-2-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.6E-07mmHg at 25°C
• Melting Point: 163-164℃
• Refractive Index: 1.609
• Boiling Point: 421.5 °C at 760 mmHg
• PKA: 10.43±0.60(Predicted)
• Flash Point: 208.7 °C
• PSA: 94.56000
• Density: 1.359 g/cm³
• LogP: 2.58690
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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:

99% ^*data from raw suppliers

5-Amino-2-methylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)S(=O)(=O)N
• Uses: 5-Amino-2-methylbenzenesulfonamide is an intermediate for the synthesis of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.

Technology Process of 5-Amino-2-methylbenzenesulfonamide

There total 7 articles about 5-Amino-2-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: 95.1%

→ 5-amino-2-methylbenzenesulfonamide (6973-09-7)

Guidance literature:

With ethanol; tin(ll) chloride; at 70 ℃; for 6h;

Reference yield: 75.0%

4-acetylamino-toluene-2-sulfonic acid amide (200266-64-4) → 5-amino-2-methylbenzenesulfonamide (6973-09-7)

Guidance literature:

With hydrogenchloride; for 0.333333h; Heating;

DOI:10.1080/00304949709355247

Reference yield:

4-nitrotoluene-2-sulfonamide (6269-91-6) → 5-amino-2-methylbenzenesulfonamide (6973-09-7)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In diethylene glycol dimethyl ether; water; for 0.75h;

upstream raw materials:

4-acetylamino-toluene-2-sulfonic acid amide

4-Methylacetanilide

4-nitrotoluene-2-sulfonamide

1-methyl-4-nitrobenzene

Refernces

• 1、 -. "COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME". Page/Page column 110-111. . Retrieved 2021/02/12.
• 2、 -. "Preparation method of 2-methyl-5-aminobenzenesulfonamide". Paragraph 0052; 0066; 0070. . Retrieved 2018/04/15.