4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide

Base Information

• Chemical Name: 4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide
• CAS No.: 56187-04-3
• Molecular Formula: C25H31 N3 O6 S3
• Molecular Weight: 565.736
• Hs Code.: 2935909099
• European Community (EC) Number: 413-300-5,627-753-3
• NSC Number: 694885,249331,245019
• DSSTox Substance ID: DTXSID20311721
• Nikkaji Number: J1.208.524I
• Wikidata: Q82061682
• ChEMBL ID: CHEMBL2008840
• Mol file: 56187-04-3.mol

Synonyms:56187-04-3;N,N',N''-Tritosyldiethylenetriamine;4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide;N,N',N''-Tris(p-toluenesulfonyl)diethylenetriamine;4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide;NSC694885;4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide;EC 413-300-5;4-methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide;SCHEMBL598551;CHEMBL2008840;DTXSID20311721;C25H31N3O6S3;CS1014;MFCD00015623;NSC245019;NSC249331;AKOS001483610;DS-4988;NSC 245019;NSC 249331;NSC-245019;NSC-249331;NSC-694885;NCI60_041068;2,2'-(Tosylimino)bis(N-tosylethaneamine);CS-0153024;FT-0640362;T1723;N,N',N''-Tritosyldiethylenetriamine, >=99.0%;N,N',N"-tri(p-toluenesulfonyl)diethylene-triamine;1,4,7-Tris(p-toluenesulfonyl)-1,4,7-triazaheptane;1,4,7-Triazaheptane, 1,4,7-tris(p-toluenesulfonyl)-;4-methyl-N-[2-[p-tolylsulfonyl-[2-(p-tolylsulfonylamino)ethyl]amino]ethyl]benzenesulfonamide;4-Methyl-N-(2-(((4-methylphenyl)sulfonyl)(2-(((4-methylphenyl)sulfonyl)amino)ethyl)amino)ethyl)benzenesulfonamide;4-Methyl-N-(2-[[(4-methylphenyl)sulfonyl](2-([(4-methylphenyl)sulfonyl]amino)ethyl)amino]ethyl)benzenesulfonamide #;N,N'-{[(4-Methylbenzene-1-sulfonyl)azanediyl]di(ethane-2,1-diyl)}bis(4-methylbenzene-1-sulfonamide)

Chemical Property of 4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide

Chemical Property:

• Melting Point: 172-176 °C(lit.)
• Boiling Point: 736.9°Cat760mmHg
• PKA: 10.38±0.50(Predicted)
• Flash Point: 399.5°C
• PSA: 154.86000
• Density: 1.325g/cm³
• LogP: 6.58370
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 565.13749924
• Heavy Atom Count: 37
• Complexity: 949

Purity/Quality:

99.9% ^*data from raw suppliers

N,N',N''-Tris(p-toluenesulfonyl)diethylenetriamine >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Statements: 53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
• Uses: 4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide is Titanium compex used as vulcanization catalysts.

Technology Process of 4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)benzenesulfonamide

There total 12 articles about 4-methyl-N,N-bis(2-{[(4-methylphenyl)sulfonyl]amino}ethyl)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: 99.0%

3-azapentane-1,5-diamine (111-40-0,98824-35-2) + p-toluenesulfonyl chloride (98-59-9) → 1,4,7-tritosyl-1,4,7-triazaheptane (56187-04-3)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 0 ℃; for 1h;

DOI:10.1039/b710487a

Reference yield: 93.0%

water (7732-18-5) + 3-azapentane-1,5-diamine (111-40-0,98824-35-2) + p-toluenesulfonyl chloride (98-59-9) → 1,4,7-tritosyl-1,4,7-triazaheptane (56187-04-3)

Guidance literature:

With hydrogenchloride; In pyridine; N,N-dimethyl-formamide;

Reference yield: 88.0%

3-azapentane-1,5-diamine (111-40-0,98824-35-2) → 1,4,7-tritosyl-1,4,7-triazaheptane (56187-04-3)

Guidance literature:

With sodium hydroxide; In diethyl ether; at 0 - 20 ℃;

upstream raw materials:

toluene-4-sulfonamide

3-azapentane-1,5-diamine

p-toluenesulfonyl chloride

N-(2-bromo-ethyl)-4-methyl-benzenesulfonamide

Downstream raw materials:

N²,N⁵,N⁸-tritosyl-2,5,8-triaza<9>paracyclophane

N,N',N-tris(p-toluenesulfonyl)-1,4,7-triazacyclononane

9,10-benzo-1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacycloundecane

N³,N⁶,N⁹-tritosyl-3,6,9-triaza-1,11-undecanediol

Refernces

• 1、 Oloyede, Hammed Olawale,Woods, Joseph Anthony Orighomisan,G?rls, Helmar,Plass, Winfried,Eseola, Abiodun Omokehinde. "Flexible, N-sulfonyl-substituted aliphatic amine ligands in palladium-catalyzed Suzuki–Miyaura C–C coupling: Influence of substituents bulkiness and co-ligand size". . p. 182 - 191. Retrieved 2019.
• 2、 -. "DINUCLEATING LIGAND OR DINUCLEAR METAL COMPLEX". Paragraph 0048-0049. . Retrieved 2021/03/19.
• 3、 Apfel, Ulf-Peter,Battistella, Beatrice,Gerschel, Philipp,Ray, Kallol,Siegmund, Daniel. "Electrochemical CO2 Reduction-The Effect of Chalcogenide Exchange in Ni-Isocyclam Complexes". . p. 1497 - 1510. Retrieved 2020/04/30.