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

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

• 6315-52-2 1,2-bis-tosyloxyethane 
• 98-59-9 p-toluenesulfonyl chloride 
• 106-93-4 ethylene dibromide 
• 111-40-0 3-azapentane-1,5-diamine 
• 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 
• 56234-52-7 1,8-bis(p-toluenesulfonyloxy)-3,6-bis(p-toluenesulfonyl)-3,6-diazaoctane 
• 70-55-3 toluene-4-sulfonamide 
• 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 
• 115368-12-2 N³,N⁶-ditosyl-3,6-diaza-1,8-octanediol 

Downstream Products

• 58966-93-1 1,4,7-triazacyclononane trihydrochloride 
• 4730-54-5 1,4,7-triazacyclononane 
• 129422-96-4 1-(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 95388-08-2 N,N'-bis(p-toluenesulfonyl)-1,4,7-triazacyclononane 
• 96556-05-7 N,N',N''-trimethyl-1,4,7-triazacyclononane 
• 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 
• 71771-37-4 hexahydro-2a,4a,6a-triaza-6b-phospha-cyclopenta[cd]pentalene 6b-oxide 
• 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 

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.

A Bis-Triazacyclononane Tris-Pyridyl N9-Azacryptand “Beer Can” Receptor for Complexation of Alkali Metal and Lead(II) Cations

A new bis-triazacyclononane tris-pyridyl N9-azacryptand ligand is prepared via a convenient one-pot [2+3] condensation reaction between triazacyclononane and 2,6-bis(bromomethyl) pyridine in the presence of M2CO3 (M=Li, Na, K). The proton, lithium, sodium, potassium and lead(II) complexes of the ligand are characterised in the solid state. Preliminary solution-phase competition experiments indicate that the cryptand ligand preferentially binds lead(II) in the presence of sodium, calcium, potassium and zinc cations in methanol solution.

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.

DINUCLEATING LIGAND OR DINUCLEAR METAL COMPLEX

To provide a dinuclear metal complex that can be synthesized simply and easily and has a proper anticancer action.SOLUTION: The present disclosure provides a dinucleating ligand represented by the following formula (I) and a dinuclear metal complex thereof (where X is H or a substituted carbamoyl group, R1, R2, R3, and R4 independently represent H or a C1-8 linear or branched alkyl group).SELECTED DRAWING: None

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

A method for preparing a NOTA derivative is revealed. The method includes a plurality of steps. First take 4-toluenesulfonyl chloride and diethylenetriamine to carry out tosylation reaction and obtain a first product. Then the first substitution reaction takes place upon addition of the first product with sodium methoxide to get the second product. Next take 4-toluenesulfonyl chloride to react with ethylene glycol for preparing a third product by tosylation reaction therebewteen. Then a coupling reaction between the third product and the second product is carried out to produce a fourth product. The second substitution reaction occurs involving the fourth product in the presence of sulfuric acid. Lastly take the reaction product and hydrochloric acid to have bonding reaction and obtain a final product. The method solves the water-absorption problem of the cyclic organic compound TACN, a NOTA derivative.

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.

Optimized synthesis and indium complex formation with the bifunctional chelator NODIA-Me

The bifunctional chelator NODIA-Me holds promise for radiopharmaceutical development. NODIA-Me is based on the macrocycle TACN (1,4,7-triazacyclononane) and incorporates two additional methylimidazole arms for metal chelation and an acetic acid residue fo

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A high-nuclearity metal-cyanide cluster [Mo6Cu14] has been prepared and its photomagnetic properties investigated. The photoswitchable magnetic phenomenon observed is thermally reversible (T ≈ 230 K). In the field of photomagnetism, [Mo6Cu14] represents a unique example of a nanocage and the highest nuclearity observed so far.

Using iSUSTAIN to validate the chemical attributes of different approaches to the synthesis of tacn and bridged (bis)tacn ligands

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