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

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

• 56187-04-3 1,4,7-tritosyl-1,4,7-triazaheptane 
• 106-93-4 ethylene dibromide 
• 56234-52-7 1,8-bis(p-toluenesulfonyloxy)-3,6-bis(p-toluenesulfonyl)-3,6-diazaoctane 
• 70-55-3 toluene-4-sulfonamide 
• 4403-78-5 ditosylethylenediamine 
• 6315-52-2 1,2-bis-tosyloxyethane 
• 52601-80-6 N,N’,N”-tris(p-toluenesulfonyl)diethylenetriamine N,N-disodium salt 
• 16695-22-0 N,N-bis(tosyloxyethyl)-p-toluenesulfonamide 
• 111-40-0 3-azapentane-1,5-diamine 
• 98-59-9 p-toluenesulfonyl chloride 
• 115368-12-2 N³,N⁶-ditosyl-3,6-diaza-1,8-octanediol 
• 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

• 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 
• 35980-59-7 1,4,7-Triazacyclononane trihydrobromide 
• 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 

Relevant articles and documents

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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.

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