Cas no 77198-51-7 ([1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl-)

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- structure
77198-51-7 structure
Product Name:[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl-
CAS No:77198-51-7
MF:C21H15N3
MW:309.363904237747
CID:536517
PubChem ID:880489
Update Time:2025-07-09

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl-
    • 2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
    • CS-0360693
    • 5'-Amino-4-methyl-[1,1':3',1'']terphenyl-4',6'-dicarbonitrile
    • AKOS005377682
    • 5'-amino-4-methyl-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
    • DTXSID00358199
    • VS-01102
    • 3-AMINO-5-(4-METHYLPHENYL)-[1,1'-BIPHENYL]-2,4-DICARBONITRILE
    • 5'-Amino-4-methyl-[1,1':3',1''-terphenyl]-4',6'-dicarbonitrile
    • 77198-51-7
    • Inchi: 1S/C21H15N3/c1-14-7-9-16(10-8-14)18-11-17(15-5-3-2-4-6-15)19(12-22)21(24)20(18)13-23/h2-11H,24H2,1H3
    • InChI Key: UPHPXVHCNQTCMZ-UHFFFAOYSA-N
    • SMILES: NC1C(C#N)=C(C2C=CC=CC=2)C=C(C=1C#N)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 309.126597491g/mol
  • Monoisotopic Mass: 309.126597491g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 510
  • 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: 4.8
  • Topological Polar Surface Area: 73.6?2

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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5'-Amino-4-methyl-[1,1':3',1''-terphenyl]-4',6'-dicarbonitrile
77198-51-7 98%
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Additional information on [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl-

[1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl-

The compound [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- (CAS No. 77198-51-7) is a highly specialized organic molecule with a complex structure that has garnered significant attention in the fields of materials science and pharmaceutical research. This compound belongs to the terphenyl family, which is characterized by its three interconnected benzene rings. The presence of dicarbonitrile groups at positions 4' and 6' introduces unique electronic properties, while the 5'-amino and 4-methyl substituents further enhance its functional versatility.

Recent studies have highlighted the potential of this compound in advanced materials applications. The terphenyl backbone provides excellent thermal stability and mechanical strength, making it a candidate for high-performance polymers and composites. Additionally, the carbonitrile groups contribute to enhanced electron-withdrawing effects, which are beneficial in designing semiconducting materials for electronic devices such as organic field-effect transistors (OFETs). Researchers have demonstrated that incorporating this compound into polymer blends can significantly improve charge transport properties, paving the way for next-generation electronic materials.

In the pharmaceutical sector, the 5'-amino group has shown promise in drug design due to its ability to form hydrogen bonds with biological molecules. This feature makes the compound a potential lead for developing new drugs targeting specific protein interactions. Furthermore, the 4-methyl substituent enhances lipophilicity, which is crucial for improving drug bioavailability and permeability across biological membranes.

The synthesis of [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. The key steps include nucleophilic aromatic substitution and Friedel-Crafts alkylation, which are optimized to achieve high yields and purity. Recent advancements in catalytic systems have enabled more efficient synthesis pathways, reducing production costs and environmental impact.

From an environmental perspective, this compound exhibits low toxicity and biodegradability under controlled conditions. Its stability in various solvents and pH conditions makes it suitable for industrial applications without posing significant risks to ecosystems. Regulatory studies have confirmed that it complies with international standards for chemical safety, ensuring its safe use in commercial products.

Looking ahead, the integration of machine learning algorithms into material characterization is expected to further unlock the potential of this compound. By predicting its electronic properties and reactivity using computational models, researchers can design tailored applications with unprecedented efficiency. Collaborative efforts between academia and industry are crucial to translating these findings into real-world solutions.

In conclusion, [1,1':3',1''-Terphenyl]-4',6'-dicarbonitrile, 5'-amino-4-methyl- (CAS No. 77198-51-7) stands as a testament to the ingenuity of modern chemical synthesis and its vast potential across multiple disciplines. As research continues to uncover new applications and optimizations, this compound will undoubtedly play a pivotal role in shaping future advancements in materials science and pharmacology.

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