Benzenesulfono-o-toluidide

Base Information

• Chemical Name: Benzenesulfono-o-toluidide
• CAS No.: 18457-86-8
• Molecular Formula: C13H13 N O2 S
• Molecular Weight: 247.318
• Hs Code.: 2935009090
• European Community (EC) Number: 242-343-0
• NSC Number: 48376
• UNII: AK3832XAM3
• DSSTox Substance ID: DTXSID90171591
• Nikkaji Number: J62.924C
• Wikidata: Q83041671
• Mol file: 18457-86-8.mol

Synonyms:N-(2-methylphenyl)benzenesulfonamide;Benzenesulfono-o-toluidide;18457-86-8;N-(o-Tolyl)benzenesulphonamide;N-o-Tolylbenzenesulfonamide;2'-Methylbenzenesulfonanilide;o-Benzenesulfonotoluidide;Benzenesulfonamide, N-(2-methylphenyl)-;2-BENZENESULFAMINOTOLUENE;EINECS 242-343-0;N-(O-TOLYL)BENZENESULFONAMIDE;BRN 2696439;AK3832XAM3;NSC-48376;4-12-00-01783 (Beilstein Handbook Reference);NSC48376;N-o-tolyl-benzenesulfonamide;UNII-AK3832XAM3;F0808-0612;IFLab1_003800;SCHEMBL1116405;DTXSID90171591;HMS1422M16;MFCD00025015;NSC 48376;STK899551;N-(2-methylphenyl)-benzenesulfonamide;AKOS001107178;IDI1_009907;LS-32131;N-(O-METHYLPHENYL)BENZENESULFONAMIDE;CS-0235662;EN300-15980;VU0446929-2;W-110478

Chemical Property of Benzenesulfono-o-toluidide

Chemical Property:

• Vapor Pressure: 3.23E-06mmHg at 25°C
• Boiling Point: 387.7°Cat760mmHg
• Flash Point: 188.3°C
• PSA: 54.55000
• Density: 1.269g/cm³
• LogP: 3.94960
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

2-BENZENESULFAMINOTOLUENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2

Technology Process of Benzenesulfono-o-toluidide

There total 11 articles about Benzenesulfono-o-toluidide 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%

benzenesulfonyl chloride (98-09-9) + o-toluidine (95-53-4) → N-o-tolyl-benzenesulfonamide (18457-86-8)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.0c02094

Reference yield: 92.0%

C16H15NO2S → N-o-tolyl-benzenesulfonamide (18457-86-8)

Guidance literature:

With dmap; tributylphosphine; In toluene; at 110 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.03.046

Reference yield: 82.0%

→ N-o-tolyl-benzenesulfonamide (18457-86-8)

Guidance literature:

With tert.-butylhydroperoxide; caesium carbonate; palladium(II) bromide; In acetonitrile; at 20 ℃; for 24h;

upstream raw materials:

ethanol

benzenesulfonyl chloride

o-toluidine

phenylsulfonyl azide

Downstream raw materials:

N-Methyl-N-(2-methylphenyl)benzolsulfonamid

N-phenylbenzenesulfonamide

C₆H₅HgN(SO₂C₆H₅)C₆H₄CH₃

N-(4-fluorophenyl)benzenesulfonamide

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