N-(2-chlorophenyl)-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-(2-chlorophenyl)-4-methylbenzenesulfonamide
• CAS No.: 6380-05-8
• Molecular Formula: C13H12ClNO2S
• Molecular Weight: 281.763
• European Community (EC) Number: 228-960-8
• NSC Number: 25015
• DSSTox Substance ID: DTXSID40213253
• Nikkaji Number: J30.691F
• Wikidata: Q83088545
• Mol file: 6380-05-8.mol

Synonyms:N-(2-chlorophenyl)-4-methylbenzenesulfonamide;6380-05-8;N-(2-chlorophenyl)-4-methylbenzene-1-sulfonamide;N-(2-Chlorophenyl)-p-toluenesulphonamide;NSC25015;N-tosyl-2-chloroaniline;CBDivE_013946;SCHEMBL7592222;DTXSID40213253;EINECS 228-960-8;MFCD00450550;NSC 25015;NSC-25015;STL282675;AKOS000346409;N-(2-Chlorophenyl)-p-toluenesulfonamide;D84617;Benzenesulfonamide, N-(2-chlorophenyl)-4-methyl-

Chemical Property of N-(2-chlorophenyl)-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.6E-08mmHg at 25°C
• Boiling Point: 450.6°C at 760 mmHg
• Flash Point: 226.3°C
• PSA: 54.55000
• Density: 1.51g/cm³
• LogP: 4.60300
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.0277275
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

N-(2-CHLOROPHENYL)-4-METHYLBENZENESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl

Technology Process of N-(2-chlorophenyl)-4-methylbenzenesulfonamide

There total 13 articles about N-(2-chlorophenyl)-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: 94.0%

para-thiocresol (106-45-6) + o-chloroaniline (95-51-2) → N-tosyl-2-chloroaniline (6380-05-8)

Guidance literature:

para-thiocresol; With thionyl chloride; dihydrogen peroxide; In water; acetonitrile; at 25 ℃;

o-chloroaniline; With pyridine; In water; acetonitrile; at 25 ℃; for 0.05h;

DOI:10.1021/jo901924m

Reference yield: 94.0%

o-chloroaniline (95-51-2) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-2-chloroaniline (6380-05-8)

Guidance literature:

With (Na₁₇₅₂K_0.144Ca₀₃₆₅Mg_0.065)(Al₂₀₄₄Si₂₇₇₄O₉₆)*19.16H₂O; In ethanol; at 25 - 30 ℃; for 0.333333h; Sonication; Green chemistry;

DOI:10.1016/j.ultsonch.2013.07.012

Reference yield: 90.0%

phenyl toluenesulfonamide (68-34-8) → N-tosyl-2-chloroaniline (6380-05-8)

Guidance literature:

With 1,3-dichloro-5,5-dimethylhydantoin; diisopropylamine hydrochloride; In toluene; at 25 ℃; for 14h; regioselective reaction; Darkness; Green chemistry;

DOI:10.1002/anie.201607388

upstream raw materials:

o-chloroaniline

p-toluenesulfonyl chloride

[N-(p-tolylsulfonyl)imino]phenyliodinane

chlorobenzene

Downstream raw materials:

toluene-4-sulfonic acid-(2-chloro-4,6-dinitro-anilide)

N-(2-chloro-4-nitrophenyl)-4-methylbenzenesulfonamide

toluene-4-sulfonic acid-(4-amino-2-chloro-anilide)

o-aminophenyl p-tolyl sulfone