52667-89-7

Basic information

• Product Name: 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane
• Synonyms: 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane;1,4,7-Tritosyl-1,4,7-triazonane;1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane;1,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane;1,4,7-Tris(4-toluenesulfonyl)-1,4,7-triazacyclononane;1,4,7-Tris(p-toluenesulfonyl)-1,4,7-triazacyclononane;1,4,7-tris(phenylsulfonyl)-1,4,7-triazonane;1,4,7-Tritosyl-1,4,7-triazacyclononane
• CAS NO: 52667-89-7
• Molecular Formula: C₂₇H₃₃N₃O₆S₃
• Molecular Weight: 591.76242
• EINECS: 1312995-182-4
• Mol File: 52667-89-7.mol
• Article Data: 27

Chemical Properties

• Melting Point: 222-224℃
• Boiling Point: 749.407°C at 760 mmHg
• Flash Point: 407.027°C
• Appearance: /
• Density: 1.334g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -7.08±0.20(Predicted)
• CAS DataBase Reference: 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane(52667-89-7)
• EPA Substance Registry System: 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane(52667-89-7)

Safety Data

• Hazardous Substances Data: 52667-89-7(Hazardous Substances Data)

Usage

Description

1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane is a complex chemical compound with the molecular formula C24H30N4O6S3. It belongs to the class of triazinanes, which are heterocyclic organic compounds containing nitrogen in the ring. This molecule features a triazonane ring with three sulfonyl groups attached to it, indicating its potential for various applications in organic synthesis and as a building block for more complex compounds. Its unique structure positions it as a molecule of interest in fields such as pharmaceuticals, materials science, and chemical research.

Uses

Used in Organic Synthesis:
1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane is used as a building block in organic synthesis for the creation of more complex compounds. Its sulfonyl groups and triazonane ring provide a versatile structure that can be further modified or reacted to produce a variety of organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane is used as a potential precursor for the development of new drugs. Its unique structure may offer novel pharmacological properties, making it a valuable starting point for the design and synthesis of innovative therapeutic agents.
Used in Materials Science:
1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane is used in materials science for the development of new materials with specific properties. Its complex structure and functional groups may contribute to the creation of materials with unique characteristics, such as improved stability, reactivity, or selectivity in various applications.
Used in Chemical Research:
In chemical research, 1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane serves as a subject of study to explore its chemical properties, reactivity, and potential applications. Researchers may investigate its interactions with other molecules, its role in catalytic processes, or its potential as a component in supramolecular chemistry.

InChI:InChI=1/C27H33N3O6S3/c1-22-4-10-25(11-5-22)37(31,32)28-16-18-29(38(33,34)26-12-6-23(2)7-13-26)20-21-30(19-17-28)39(35,36)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3

Upstream product

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• 70-55-3 toluene-4-sulfonamide 
• 111-40-0 3-azapentane-1,5-diamine 
• 98-59-9 p-toluenesulfonyl chloride 
• 106-93-4 ethylene dibromide 
• 6315-52-2 1,2-bis-tosyloxyethane 
• 4403-78-5 ditosylethylenediamine 
• 16695-22-0 N,N-bis(tosyloxyethyl)-p-toluenesulfonamide 
• 52601-80-6 N,N’,N”-tris(p-toluenesulfonyl)diethylenetriamine N,N-disodium salt 
• 115368-12-2 N³,N⁶-ditosyl-3,6-diaza-1,8-octanediol 
• 56187-04-3 1,4,7-tritosyl-1,4,7-triazaheptane 
• 99142-40-2 Toluene-4-sulfonic acid 2-[(toluene-4-sulfonyl)-(2-{(toluene-4-sulfonyl)-[2-(toluene-4-sulfonylamino)-ethyl]-amino}-ethyl)-amino]-ethyl ester 
• 1074-82-4 potassium phtalimide 

Downstream Products

• 96556-05-7 N,N',N''-trimethyl-1,4,7-triazacyclononane 
• 71771-37-4 hexahydro-2a,4a,6a-triaza-6b-phospha-cyclopenta[cd]pentalene 6b-oxide 
• 174138-01-3 1,4-di-tert-butyl 1,4,7-triazonane-1,4-dicarboxylate 
• 95388-12-8 1,3-bis[N,N'-bis(p-toluenesulfonyl)-1,4,7-triaza-1-cyclononyl]ethane 
• 1354021-90-1 1,4-di(tosyl)-1,4,7-triazacyclononane tosylate 
• 226917-73-3 4,10-bis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-bicyclo[5.5.2]tetradecane-2,6-dione 
• 226917-74-4 4,10-bis-(toluene-4-sulfonyl)-1,4,7,10-tetraaza-bicyclo[5.5.2]tetradecane 
• 157823-73-9 1,4-bis(p-tolylsulfonyl)-7-methyl-1,4,7-triazacyclononane 
• 112498-53-0 1-carboxaldehyde-1,4,7-triazacyclononane 
• 330804-76-7 1,4,7-tris(5-phenyl-4-pentynyl)-1,4,7-triazacyclononane 
• 176483-80-0 1,4-diisopropyl-7-(p-tolylsulfonyl)-1,4,7-triazacyclononane 
• 95388-08-2 N,N'-bis(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 129422-96-4 1-(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 35980-59-7 1,4,7-Triazacyclononane trihydrobromide 

Relevant articles and documents

Reusable and environmentally friendly ionic trinuclear iron complex catalyst for atom transfer radical polymerization

Ionic iron complex [(Me3tacn)2Fe2Cl 3]+[(Me3tacn)FeCl3]- (1), which is readily soluble in methanol, acted as a powerful catalyst in controlled radical polymerization of styrene and MMA, and showed promising features of removal from the resulting polymers and was reusable after recovery from the crude products. The Royal Society of Chemistry.

Paramagnetic palladacycles with PdIII centers are highly active catalysts for asymmetric aza-Claisen rearrangements

A combination of spectroscopic and electrochemical methods - XANES, EXAFS, X-ray, 1H NMR, EPR, Moessbauer, and cyclic voltammetry - demonstrate that the most efficient Pd catalysts for the asymmetric rearrangement of allylic trifluoroacetimidates unexpectedly possess in the activated oxidized form a PdIII center bound to a ferrocene core which remains unchanged (FeII) during the oxidative activation. These are the first recognized PdIII complexes acting as enantioselective catalysts.

Second-Sphere Interaction Promoted Turn-On Fluorescence for Selective Sensing of Organic Amines in a TbIII-based Macrocyclic Framework

Guided by a second-sphere interaction strategy, we fabricated a Tb(III)-based metal—organic framework (MMCF-4) for turn-on sensing of methyl amine with ultra-low detection limit and high turn-on efficiency. MMCF-4 features lanthanide nodes shielded in a nonacoordinate geometry along with secondary coordination spheres that are densely populated with H-bond interacting sites. Nonradiative routes were inhibited by binding-induced rigidification of the ligand on the second coordination sphere, resulting in luminescence amplification. Such remote interacting mechanism involved in the turn-on sensing event was confirmed by single-crystal X-ray diffraction and molecular dynamic simulation studies. The design of both primary and secondary coordination spheres of Tb(III) enabled the first turn-on sensing of organic amines in aqueous conditions. Our work suggests a promising strategy for high-performance turn-on sensing for Ln-MOFs and luminous materials driven by other metal chromophores.

METHOD FOR PREPARING NOTA DERIVATIVE

The present invention discloses Method for preparing NOTA derivative. Firstly, take 4-methylsulfonyl chloride and diethylenetriamine in tosyl group reaction to obtain the first product. And, take the first product and sodium methoxide in the first substitution reaction to obtain the second product. Further, take 4-methylsulfonyl chloride and ethylene glycol in tosyl group reaction to obtain a third product. The second product is coupled to the third product to obtain a fourth product. Take the fourth product and sulfuric acid in the second substitution reaction. Finally, a final product is obtained by a bonding reaction with hydrochloric acid. The preparation method improves the water absorption issue of the benzene ring structure compound (TACN) of the NOTA derivative.