Cas no 893736-92-0 (3-(Benzyloxy)-2'-cyanobiphenyl)

3-(Benzyloxy)-2'-cyanobiphenyl is a biphenyl derivative featuring a benzyloxy substituent at the 3-position and a cyano group at the 2'-position. This compound is of interest in organic synthesis and materials science due to its structural versatility, serving as a key intermediate in the preparation of liquid crystals, pharmaceuticals, and advanced functional materials. The presence of both electron-donating (benzyloxy) and electron-withdrawing (cyano) groups enhances its utility in designing molecules with tailored electronic properties. Its well-defined aromatic framework ensures stability and reactivity in cross-coupling reactions, while the cyano group offers further functionalization potential. Suitable for research and industrial applications requiring precise molecular architecture.
3-(Benzyloxy)-2'-cyanobiphenyl structure
893736-92-0 structure
Product Name:3-(Benzyloxy)-2'-cyanobiphenyl
CAS No:893736-92-0
MF:C20H15NO
MW:285.339205026627
CID:1941265
PubChem ID:20099938
Update Time:2025-11-02

3-(Benzyloxy)-2'-cyanobiphenyl Chemical and Physical Properties

Names and Identifiers

    • 2-(3-phenylmethoxyphenyl)benzonitrile
    • 3-(Benzyloxy)-2'-cyanobiphenyl
    • 3'-(Benzyloxy)[1,1'-biphenyl]-2-carbonitrile
    • ACMC-209r0i
    • CTK8B2621
    • MolPort-000-927-352
    • ANW-39280
    • BB 0223339
    • 893736-92-0
    • MFCD06802288
    • BS-24694
    • 3-(Benzyloxy)-2''-cyanobiphenyl
    • DTXSID50602457
    • AKOS004116236
    • MDL: MFCD06802288
    • Inchi: 1S/C20H15NO/c21-14-18-9-4-5-12-20(18)17-10-6-11-19(13-17)22-15-16-7-2-1-3-8-16/h1-13H,15H2
    • InChI Key: QUVXASRYRVROFF-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1=CC=CC(=C1)C1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 285.11500
  • Monoisotopic Mass: 285.115364102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 378
  • 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: 4.7
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02000
  • LogP: 4.80428

3-(Benzyloxy)-2'-cyanobiphenyl Security Information

3-(Benzyloxy)-2'-cyanobiphenyl Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(Benzyloxy)-2'-cyanobiphenyl Pricemore >>

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Additional information on 3-(Benzyloxy)-2'-cyanobiphenyl

3-(Benzyloxy)-2'-cyanobiphenyl (CAS 893736-92-0): A Versatile Intermediate for Advanced Material Applications

3-(Benzyloxy)-2'-cyanobiphenyl (CAS 893736-92-0) is an important organic intermediate that has gained significant attention in the field of advanced materials and pharmaceutical research. This biphenyl derivative features a unique molecular structure combining a benzyloxy group and a cyano group, making it particularly valuable for various synthetic applications.

The compound's molecular formula C20H15NO and molecular weight 285.34 g/mol indicate its potential as a building block for more complex molecules. Recent studies in liquid crystal technology have highlighted the importance of such cyanobiphenyl derivatives, as they can influence the mesomorphic properties of materials used in display technologies.

In the context of current material science trends, researchers are particularly interested in how 3-(Benzyloxy)-2'-cyanobiphenyl can be utilized in the development of organic semiconductors. The compound's π-conjugated system and electron-withdrawing cyano group make it a promising candidate for optoelectronic applications, including OLED materials and organic photovoltaic cells.

The synthesis of 3-(Benzyloxy)-2'-cyanobiphenyl typically involves cross-coupling reactions between appropriately substituted aromatic compounds. Modern green chemistry approaches have focused on optimizing these synthetic routes to improve atom economy and reduce environmental impact, addressing current concerns about sustainable chemical production.

From a pharmaceutical perspective, the biphenyl scaffold present in 3-(Benzyloxy)-2'-cyanobiphenyl is recognized as a privileged structure in drug discovery. Many researchers are investigating its potential as a precursor for bioactive compounds, particularly in the development of kinase inhibitors and anti-inflammatory agents.

The physical properties of 3-(Benzyloxy)-2'-cyanobiphenyl, including its melting point and solubility characteristics, make it suitable for various formulation applications. These properties are currently being studied in relation to drug delivery systems, where controlled release and bioavailability enhancement are key considerations.

In the chemical industry, there's growing demand for high-purity intermediates like 3-(Benzyloxy)-2'-cyanobiphenyl, driven by advancements in analytical techniques and quality control standards. Manufacturers are increasingly focusing on process optimization to meet the stringent requirements of pharmaceutical and electronic material applications.

Recent patent literature reveals numerous applications of 3-(Benzyloxy)-2'-cyanobiphenyl derivatives in intellectual property related to functional materials. This reflects the compound's importance in innovation-driven industries and its potential for commercial development.

From a safety perspective, proper handling of 3-(Benzyloxy)-2'-cyanobiphenyl requires standard laboratory precautions. While not classified as hazardous under normal conditions, appropriate personal protective equipment should be used when working with this chemical, in line with current occupational health guidelines.

The market outlook for 3-(Benzyloxy)-2'-cyanobiphenyl appears positive, with increasing demand from both academic research and industrial applications. As custom synthesis services expand globally, this compound is likely to see growing utilization in specialty chemical production.

Future research directions for 3-(Benzyloxy)-2'-cyanobiphenyl may explore its potential in supramolecular chemistry and molecular recognition systems. The compound's structural features make it an interesting candidate for developing functional nanostructures and smart materials with responsive properties.

For researchers working with 3-(Benzyloxy)-2'-cyanobiphenyl, recent advances in analytical characterization techniques such as HPLC-MS and NMR spectroscopy have improved the ability to study its structure-property relationships in greater detail. These tools are essential for quality assurance in both research and production settings.

The storage conditions for 3-(Benzyloxy)-2'-cyanobiphenyl typically recommend protection from moisture and light exposure, with optimal preservation achieved under inert atmosphere when long-term stability is required. These considerations are particularly important for commercial suppliers maintaining inventory quality.

As the chemical industry moves toward more sustainable practices, the development of eco-friendly synthetic routes to 3-(Benzyloxy)-2'-cyanobiphenyl represents an active area of investigation. Current research focuses on catalytic methods and alternative solvents that minimize environmental footprint while maintaining high yields.

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