5-Aminotoluene-2-sulphonamide

Base Information

• Chemical Name: 5-Aminotoluene-2-sulphonamide
• CAS No.: 94109-57-6
• Molecular Formula: C7H10 N2 O2 S
• Molecular Weight: 186.235
• Hs Code.: 2935009090
• European Community (EC) Number: 302-499-3
• DSSTox Substance ID: DTXSID10240617
• Nikkaji Number: J368.116E
• Wikidata: Q83123591
• Mol file: 94109-57-6.mol

Synonyms:4-amino-2-methylbenzenesulfonamide;94109-57-6;5-Aminotoluene-2-sulphonamide;4-amino-2-methylbenzene-1-sulfonamide;EINECS 302-499-3;5-AMINOTOLUENE-2-SULFONAMIDE;SCHEMBL1807019;4-Amino-2-methylbenzolsulfonamid;DTXSID10240617;PPGSUPFDLFLUAL-UHFFFAOYSA-N;GS0919;AKOS009406743;AT23139;CS-0119774;EN300-68390;Z406721580

Chemical Property of 5-Aminotoluene-2-sulphonamide

Chemical Property:

• Vapor Pressure: 9.01E-07mmHg at 25°C
• Melting Point: 168 °C
• Boiling Point: 405.1°Cat760mmHg
• PKA: 10.19±0.60(Predicted)
• Flash Point: 198.8°C
• PSA: 94.56000
• Density: 1.359g/cm³
• LogP: 2.58690
• 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:

98% ^*data from raw suppliers

4-amino-2-methylbenzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Aminotoluene-2-sulphonamide

There total 4 articles about 5-Aminotoluene-2-sulphonamide 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: 58.7%

→ 4-amino-2-methylbenzenesulfonamide (94109-57-6)

Guidance literature:

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

Reference yield: 48.0%

5(acetamido)-2-methyl-benzenesulfonamide (5433-02-3) → 4-amino-2-methylbenzenesulfonamide (94109-57-6)

Guidance literature:

With hydrogenchloride; water; In ethanol; for 3h; Reflux;

Reference yield: 16.3%

3-Methylacetanilide (537-92-8) → 4-amino-2-methylbenzenesulfonamide (94109-57-6)

Guidance literature:

3-Methylacetanilide; With chlorosulfonic acid; at 70 ℃; for 8h;

With ammonia; In tetrahydrofuran; at 20 ℃; for 2h; Cooling with ice;

With hydrogenchloride; In ethanol; for 1h; Reflux;

upstream raw materials:

5(acetamido)-2-methyl-benzenesulfonamide

3-Methylacetanilide

4-acetamino-2-methyl-benzenesulfonyl chloride

Downstream raw materials:

2,3,4-trichloro-5,6-dinitro-toluene

2,6-dichloro-3-methylaniline

2,3,4-trichlorotoluene

5-benzoylamino-toluene-2-sulfonic acid amide

Refernces

• 1、 -. "N,N'-bis-substituted aryl thiourea derivatives and synthetic method and application thereof". Paragraph 0069; 0076; 0077. . Retrieved 2017/04/26.