Cas no 4181-21-9 (Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris-)

Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris-, is a triketone compound featuring a central nitrilotriphenylene core linked to three acetyl (ethanone) groups. This structure imparts high thermal stability and reactivity, making it suitable for applications in polymer chemistry, crosslinking agents, and advanced material synthesis. Its symmetrical tri-functional design enables efficient participation in condensation and addition reactions, particularly in the formation of rigid, high-performance networks. The compound's aromatic backbone enhances its resistance to degradation, while the ketone groups offer versatile functionalization potential. It is commonly utilized in coatings, adhesives, and specialty resins where controlled crosslinking and durability are critical. Handling requires standard precautions for ketone-based reagents.
Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris- structure
4181-21-9 structure
Product Name:Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris-
CAS No:4181-21-9
MF:C24H21NO3
MW:371.428446531296
CID:1513208
PubChem ID:23270152
Update Time:2025-06-12

Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris-
    • 4,4',4''-TRIACETYLTRIPHENYLAMINE
    • 1-{4-[bis-(4-acetyl-phenyl)amino]phenyl}ethanone
    • tris(4-acetylphenyl)amine
    • Tris-[4-acetyl-phenyl]-amin
    • Tris-[p-Acetyl-phenyl]-amin
    • 1,1',1''-(Nitrilotris(benzene-4,1-diyl))triethanone
    • 1-[4-(4-acetyl-N-(4-acetylphenyl)anilino)phenyl]ethanone
    • CS-0379122
    • G64575
    • 1-{4-[BIS(4-ACETYLPHENYL)AMINO]PHENYL}ETHANONE
    • SCHEMBL8191180
    • DTXSID801301087
    • 4,4a(2),4a(2)a(2)-Triacetyltriphenylamine
    • 4,4,4-TRIACETYLTRIPHENYLAMINE
    • 4181-21-9
    • SB83589
    • YSCH0165
    • Inchi: 1S/C24H21NO3/c1-16(26)19-4-10-22(11-5-19)25(23-12-6-20(7-13-23)17(2)27)24-14-8-21(9-15-24)18(3)28/h4-15H,1-3H3
    • InChI Key: HMBWJXBLKJUNEP-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=CC(=CC=1)N(C1C=CC(C(C)=O)=CC=1)C1C=CC(C(C)=O)=CC=1

Computed Properties

  • Exact Mass: 371.15200
  • Monoisotopic Mass: 371.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 482
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.45000
  • LogP: 5.76420

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Additional information on Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris-

Introduction to Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris and Its Significance in Modern Chemical Research

Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris, is a sophisticated organic compound characterized by its unique molecular structure and versatile applications in the field of chemical biology and pharmaceutical research. This compound, identified by the CAS number 4181-21-9, has garnered significant attention due to its potential in various scientific applications. The molecular framework of this compound consists of three ethanone units linked together by a nitrilotri-4,1-phenylene bridge, which imparts exceptional stability and reactivity, making it a valuable candidate for further study.

The structural complexity of Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris allows it to interact with a wide range of biological targets, making it a promising candidate for drug development. Recent advancements in computational chemistry have enabled researchers to predict the binding affinities and mechanisms of action of this compound with high precision. These computational studies have revealed that the compound exhibits strong binding interactions with certain enzymes and receptors, suggesting its potential as an inhibitor or modulator in therapeutic contexts.

In the realm of medicinal chemistry, the synthesis and characterization of Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris have been extensively explored. The nitrilotri-4,1-phenylene moiety serves as a crucial scaffold that enhances the compound's solubility and bioavailability. This feature is particularly important for pharmaceutical applications, where efficient delivery to target sites is essential for therapeutic efficacy. Researchers have developed novel synthetic routes to produce this compound in high yields while maintaining its structural integrity. These synthetic strategies have involved multi-step organic transformations and advanced catalytic techniques.

The chemical properties of Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris make it an attractive candidate for use in material science applications as well. The compound's ability to form stable complexes with metal ions has been exploited in the development of new catalysts and sensors. For instance, recent studies have demonstrated that this compound can act as a ligand in coordination chemistry, facilitating the formation of highly active catalysts for various organic transformations. These catalysts have shown promise in industrial processes due to their high selectivity and efficiency.

Another area where Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris has made significant contributions is in the field of nanotechnology. The compound's unique molecular structure allows it to self-assemble into ordered nanostructures, which can be used as building blocks for advanced materials. These nanostructures exhibit exceptional properties such as high surface area and tunable electronic characteristics. Researchers are exploring the use of these nanostructures in various applications, including drug delivery systems and electronic devices.

The biological activity of Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris has also been studied extensively. In vitro experiments have shown that this compound can modulate the activity of certain enzymes involved in cellular signaling pathways. These findings suggest that it may have therapeutic potential in treating various diseases related to dysregulated signaling. Further research is needed to fully elucidate the mechanisms of action and potential side effects of this compound. Preclinical studies are currently underway to evaluate its safety and efficacy in animal models.

The development of new analytical techniques has also played a crucial role in advancing the study of Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris. High-resolution spectroscopy methods such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) have enabled researchers to determine the exact structure and purity of this compound with high accuracy. These techniques are essential for understanding its chemical behavior and interactions with other molecules.

In conclusion, Ethanone, 1,1',1''-(nitrilotri-4,1-phenylene)tris is a multifaceted compound with significant potential in various fields of research. Its unique molecular structure and versatile applications make it a valuable tool for scientists working in chemical biology and pharmaceuticals. As research continues to uncover new aspects of its properties and functions,this compound is likely to play an increasingly important role in advancing scientific knowledge and developing new technologies.

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