4-Methyl-N-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide

Base Information

• Chemical Name: 4-Methyl-N-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide
• CAS No.: 5011-10-9
• Molecular Formula: C22H24N2O4S2
• Molecular Weight: 444.576
• ChEMBL ID: CHEMBL4991959
• DSSTox Substance ID: DTXSID60403371
• Nikkaji Number: J339.486G
• Wikidata: Q82207022
• Mol file: 5011-10-9.mol

Synonyms:ST50925650;5011-10-9;CHEMBL4991959;DTXSID60403371;AKOS003307727;4-METHYL-N-[4-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)BENZYL]BENZENESULFONAMIDE;1,4-bis[N-(4-tolylsulfonyl)aminomethyl]benzene

Chemical Property of 4-Methyl-N-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 444.11774960
• Heavy Atom Count: 30
• Complexity: 654

Purity/Quality:

95% ^*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)NCC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)C

Technology Process of 4-Methyl-N-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide

There total 7 articles about 4-Methyl-N-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)benzyl]benzenesulfonamide 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: 95.0%

1,4-bis(bromomethyl)benzene (623-24-5) + sodium p-toluenesulfonamide (18522-92-4) → 1,4-Bis-(toluol-4-sulfonamidmethyl)-benzol (5011-10-9)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 8h;

DOI:10.1080/00397910903470517

Reference yield: 81.0%

N,N'-diacetyl-N,N'ditosyl-α,α'-p-xylenediamine (104496-43-7) → 1,4-Bis-(toluol-4-sulfonamidmethyl)-benzol (5011-10-9)

Guidance literature:

With water; potassium carbonate; In ethanol; for 7h; Heating;

DOI:10.1055/s-1999-3385

Reference yield: 77.0%

p-xylylidenediamine (539-48-0) + p-toluenesulfonyl chloride (98-59-9) → 1,4-Bis-(toluol-4-sulfonamidmethyl)-benzol (5011-10-9)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; Ambient temperature;

DOI:10.1021/jo00307a016

upstream raw materials:

p-xylylidenediamine

p-toluenesulfonyl chloride

N,N'-diacetyl-N,N'ditosyl-α,α'-p-xylenediamine

1,4-bis(bromomethyl)benzene

Downstream raw materials:

3,10,17,24-Tetrakis-(toluene-4-sulfonyl)-3,10,17,24-tetraaza-tricyclo[24.2.2.2^12,15]dotriaconta-1⁽²⁹⁾,12⁽³²⁾,13,15⁽³¹⁾,26⁽³⁰⁾,27-hexaene

1,4-Bis{[N-(4-tolylsulfonyl)aminomethyl]benzyl-N-(4-tolylsulfonyl)aminomethyl}benzene

C₂₂H₂₂N₄O₆S₂

C₄₂H₃₈N₂O₄S₂

Refernces

• 1、 Schwierz, Holger,Voegtle, Fritz. "Linear and macrocyclic molecular thread, ribbon and belt assemblies of nanometric scale". . p. 295 - 305. Retrieved 2007/10/03.
• 2、 Vinod, Thottumkara K.,Hart, Harold. "Cupped Azacyclophanes Based on a m-Terphenyl Framework: Conformational Features of Their N-Tosylamide Precursors". . p. 5461 - 5466. Retrieved 2007/10/02.