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ChemicalBook--->CAS DataBase List--->56187-04-3

56187-04-3

56187-04-3 Structure

56187-04-3 Structure
IdentificationBack Directory
[Name]

N,N',N''-TRITOSYLDIETHYLENETRIAMINE
[CAS]

56187-04-3
[Synonyms]

N,N',N''-Tris(p-toL
Gadobutrol Impurity 42
N,N',N''-TRITOSYLDIETHYLENETRIAMINE
N,N',N''-TRI-P-TOSYLDIETHYLENETRIAMINE, 98%
N,N',N''-TRIS(P-TOLUENESULFONYL)DIETHYLENETRIAMINE
N,N',N''-TRIS(P-TOLUENESULFIONYL)DIETHYLENETRIAMINE
N N N'-TRIS(P-TOLUENESULFONYL)DIETHYLENETRIAMINE 98+%
N-ethyl-2-methyl-N-(2-methylphenyl)sulfonylbenzenesulfonamide
4-Methyl-N,N-bis(2-(4-MethylphenylsulfonaMido)ethyl)benzenesulfonaMide
4-methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide
N,N',N''-Tris(p-toluenesulfonyl)diethylenetriamine
Benzenesulfonamide, 4-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]amino]ethyl]-
4-METHYL-N-{2-[[(4-METHYLPHENYL)SULFONYL](2-{[(4-METHYLPHENYL)SULFONYL]AMINO}ETHYL)AMINO]ETHYL}BENZENESULFONAMIDE
[EINECS(EC#)]

413-300-5
[Molecular Formula]

C25H31N3O6S3
[MDL Number]

MFCD00015623
[MOL File]

56187-04-3.mol
[Molecular Weight]

565.73
Chemical PropertiesBack Directory
[Melting point ]

172-176 °C(lit.)
[Boiling point ]

736.9±70.0 °C(Predicted)
[density ]

1.325±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

10.38±0.50(Predicted)
[color ]

White to Almost white
[BRN ]

1277399
Safety DataBack Directory
[Risk Statements ]

53
[Safety Statements ]

61
[WGK Germany ]

1
[HS Code ]

2935909099
Hazard InformationBack Directory
[Uses]

4-Methyl-N,N-bis(2-(4-methylphenylsulfonamido)ethyl)benzenesulfonamide is Titanium compex used as vulcanization catalysts.
[Synthesis]

Diethylenetriamine

111-40-0

Tosyl chloride

98-59-9

N,N',N''-TRITOSYLDIETHYLENETRIAMINE

56187-04-3

At room temperature, 115 g (0.6 mol) of p-toluenesulfonyl chloride was dissolved in 250 ml of pyridine. Pyridine solution (30 ml) containing diethylenetriamine (21.5 ml, 0.2 mol) was added slowly and dropwise. The reaction mixture was stirred continuously at 50°C for 90 min and subsequently transferred to a conical flask under warm condition. After the mixture was cooled to room temperature, 200 ml of water was added. The mixture was stirred overnight at room temperature and subsequently cooled in an ice bath for 2 hours. The orange solid formed was collected by filtration and washed with 95% ethanol pre-cooled to 0°C. Finally, the product was dried under vacuum by rotary evaporator at 40°C to afford the target compound N,N,N-tris(p-toluenesulfonyl)diethylenetriamine (92 g, 81% yield) in light yellow solid form.

[References]

[1] Organic and Biomolecular Chemistry, 2007, vol. 5, # 22, p. 3651 - 3656
[2] Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences, 2007, vol. 62, # 3, p. 397 - 406
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 2, p. 372 - 375
[4] Dalton Transactions, 2016, vol. 45, # 23, p. 9412 - 9418
[5] Journal of the American Chemical Society, 2010, vol. 132, # 49, p. 17366 - 17369
Spectrum DetailBack Directory
[Spectrum Detail]

N,N',N''-TRITOSYLDIETHYLENETRIAMINE(56187-04-3)1HNMR
N,N',N''-TRITOSYLDIETHYLENETRIAMINE(56187-04-3)IR1
N,N',N''-TRITOSYLDIETHYLENETRIAMINE(56187-04-3)IR2
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