Cas no 56153-61-8 (o-benzylbenzonitrile)

o-benzylbenzonitrile structure
o-benzylbenzonitrile structure
Product Name:o-benzylbenzonitrile
CAS No:56153-61-8
MF:C14H11N
MW:193.243843317032
MDL:MFCD09056744
CID:944982
PubChem ID:10856342
Update Time:2025-08-03

o-benzylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • o-benzylbenzonitrile
    • 2-benzylbenzonitrile
    • 2-benzyl-1-cyanobenzene
    • 2-Benzyl-benzonitril
    • 2-Cyan-diphenylmethan
    • 2-Cyanodiphenylmethan
    • 56153-61-8
    • AKOS006332304
    • DTXSID30446038
    • SCHEMBL1252940
    • D79910
    • CS-0453767
    • MFCD09056744
    • DA-04859
    • 2-BENZYL BENZONITRILE
    • BS-49202
    • MDL: MFCD09056744
    • Inchi: 1S/C14H11N/c15-11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10H2
    • InChI Key: YCSOWXPYKGFJBX-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC=CC=1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 193.08900
  • Monoisotopic Mass: 193.089149355g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 231
  • 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: 3.6
  • Topological Polar Surface Area: 23.8?2

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.14908

o-benzylbenzonitrile Pricemore >>

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o-benzylbenzonitrile Production Method

Additional information on o-benzylbenzonitrile

O-Benzylbenzonitrile: A Comprehensive Overview

O-Benzylbenzonitrile, also known as CAS No. 56153-61-8, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, characterized by its unique structure and properties, has garnered attention in recent years due to its potential in drug discovery, catalytic processes, and advanced material synthesis. The molecule consists of a benzonitrile group attached to a benzyl moiety, making it a valuable intermediate in organic synthesis.

Recent studies have highlighted the importance of o-benzylbenzonitrile in the development of novel pharmaceutical agents. Researchers have explored its role as a precursor in the synthesis of bioactive compounds, particularly in the design of kinase inhibitors and other therapeutic agents. The ability of o-benzylbenzonitrile to undergo various transformations, such as nucleophilic substitution and cyclization reactions, has made it an essential building block in medicinal chemistry.

In addition to its role in drug discovery, o-benzylbenzonitrile has found applications in the field of catalysis. Its ability to act as a ligand in transition metal-catalyzed reactions has been extensively studied. For instance, recent research has demonstrated its effectiveness in asymmetric catalysis, where it serves as a chiral auxiliary to induce high enantioselectivity in reactions. This property has significant implications for the production of chiral pharmaceuticals and fine chemicals.

The synthesis of o-benzylbenzonitrile has also been optimized through innovative methodologies. Traditional approaches involved multi-step processes with low yields, but advancements in catalytic methods have enabled more efficient syntheses. For example, the use of palladium-catalyzed cross-coupling reactions has streamlined the production process, making it more cost-effective and scalable for industrial applications.

Furthermore, o-benzylbenzonitrile exhibits interesting electronic properties that make it suitable for applications in materials science. Its ability to participate in π-π interactions and form supramolecular assemblies has been explored for the development of functional materials such as organic semiconductors and self-assembled monolayers. Recent studies have shown promising results in using this compound as a component in organic electronics, where its electronic characteristics contribute to enhanced device performance.

From an environmental perspective, the green chemistry aspects of o-benzylbenzonitrile have also been investigated. Researchers are focusing on developing sustainable synthetic routes that minimize waste and utilize renewable resources. These efforts align with global initiatives to promote eco-friendly chemical processes and reduce the environmental footprint of chemical manufacturing.

In conclusion, o-benzylbenzonitrile (CAS No. 56153-61-8) is a multifaceted compound with a wide range of applications across diverse scientific disciplines. Its unique chemical properties, coupled with recent advancements in synthesis and application techniques, position it as a key player in modern chemical research. As ongoing studies continue to uncover new potentials for this compound, its significance in both academic and industrial settings is expected to grow further.

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