1-Phenyl-3-(p-toluenesulfonyl)urea

Base Information

• Chemical Name: 1-Phenyl-3-(p-toluenesulfonyl)urea
• CAS No.: 13909-63-2
• Molecular Formula: C14H14N2O3S
• Molecular Weight: 290.343
• European Community (EC) Number: 424-620-1,662-008-6
• DSSTox Substance ID: DTXSID60877497
• Nikkaji Number: J282.649F
• Wikidata: Q82859322
• ChEMBL ID: CHEMBL79192
• Mol file: 13909-63-2.mol

Synonyms:1-phenyl-3-(p-toluenesulfonyl)urea;13909-63-2;1-(4-methylphenyl)sulfonyl-3-phenylurea;EC 424-620-1;Oprea1_626386;Oprea1_744464;SCHEMBL27885;MLS000714758;CHEMBL79192;DTXSID60877497;HMS1726P16;HMS2673L16;N-(p-toluenesulfonyl)-N'-phenylurea;AKOS001024777;SMR000274737;LY-181985;N-(4-methylphenylsulphonyl)-N'-(phenyl)urea;4-Methyl-N-(phenylcarbamoyl)benzenesulfonamide;Z44586315

Chemical Property of 1-Phenyl-3-(p-toluenesulfonyl)urea

Chemical Property:

• Vapor Pressure: 8.1Pa at 25℃
• PSA: 83.65000
• Density: 1.336g/cm³
• LogP: 4.05010
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 290.07251349
• Heavy Atom Count: 20
• Complexity: 416

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC=C2

Technology Process of 1-Phenyl-3-(p-toluenesulfonyl)urea

There total 18 articles about 1-Phenyl-3-(p-toluenesulfonyl)urea 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: 98.0%

→ N-phenyl-N'-p-tolylsulfonylurea (13909-63-2)

Guidance literature:

With palladium diacetate; In acetonitrile; at 20 ℃; for 12h; under 20 Torr;

Reference yield: 90.0%

Tosyl isocyanate (4083-64-1) + aniline (62-53-3) → N-phenyl-N'-p-tolylsulfonylurea (13909-63-2)

Guidance literature:

In neat (no solvent); at 20 ℃; for 0.0833333h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202100932

Reference yield: 76.0%

phenyl isocyanate (103-71-9) + toluene-4-sulfonamide (70-55-3) → N-phenyl-N'-p-tolylsulfonylurea (13909-63-2)

Guidance literature:

copper(l) chloride; In N,N-dimethyl-formamide; for 19.5h; Ambient temperature;

DOI:10.1055/s-1990-26837

upstream raw materials:

N-acetyl-N-phenyl-N'-(toluene-4-sulfonyl)-urea

phenyl isocyanate

toluene-4-sulfonamide

Tosyl isocyanate