2-Methyl-N-phenylbenzenesulfonamide

Base Information

• Chemical Name: 2-Methyl-N-phenylbenzenesulfonamide
• CAS No.: 56776-55-7
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.318
• DSSTox Substance ID: DTXSID40205335
• Nikkaji Number: J1.619.476J
• Wikidata: Q83078892
• Mol file: 56776-55-7.mol

Synonyms:2-Methyl-N-phenylbenzenesulfonamide;56776-55-7;Benzenesulfonamide, 2-methyl-N-phenyl-;toluene sulphonanilide;SCHEMBL633994;IFLab1_000511;DTXSID40205335;HMS1413H05;N-Phenyl-2-methylbenzenesulfonamide;MFCD00441481;AKOS008968745;Benzenesulfonamide,2-methyl-N-phenyl-;IDI1_008730

Chemical Property of 2-Methyl-N-phenylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Boiling Point: 397.4°Cat760mmHg
• PKA: 8.57±0.10(Predicted)
• Flash Point: 194.1°C
• PSA: 54.55000
• Density: 1.269g/cm³
• LogP: 3.94960
• XLogP3: 2.8
• 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-METHYL-N-PHENYLBENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2

Technology Process of 2-Methyl-N-phenylbenzenesulfonamide

There total 10 articles about 2-Methyl-N-phenylbenzenesulfonamide 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: 86.0%

methyl 2-(aminosulfonyl)benzoate (88-19-7) + iodobenzene (591-50-4) → N-phenyl-S-(2-methylphenyl) sulfonamide (56776-55-7)

Guidance literature:

With copper(l) iodide; manganese(II) fluoride; potassium hydroxide; N,N`-dimethylethylenediamine; In water; at 60 ℃; for 24h;

DOI:10.1002/ejoc.201201218

Reference yield: 86.0%

nitrobenzene (98-95-3,26969-40-4) + Toluene-2-sulfonyl chloride (133-59-5) → N-phenyl-S-(2-methylphenyl) sulfonamide (56776-55-7)

Guidance literature:

With iron; In water; at 60 ℃; for 36h;

DOI:10.1039/c8ob01172a

Reference yield: 85.0%

→ N-phenyl-S-(2-methylphenyl) sulfonamide (56776-55-7)

Guidance literature:

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

upstream raw materials:

aniline

Toluene-2-sulfonyl chloride

methyl 2-(aminosulfonyl)benzoate

iodobenzene

Downstream raw materials:

N-Acetyl-N-phenyl-o-toluolsulfonamid

methyl 2-(aminosulfonyl)benzoate

1,1-dioxo-2-phenyl-1,4-dihydro-2H-1λ⁶-benzo[e][1,2]thiazin-3-one

N-methyl-N-phenyl-2-methylbenzenesulfonamide