Cas no 154848-36-9 (2-(3-Methoxyphenyl)benzonitrile)

2-(3-Methoxyphenyl)benzonitrile is a synthetic organic compound featuring a benzonitrile core substituted with a 3-methoxyphenyl group. This structure imparts versatility in applications, particularly as an intermediate in pharmaceutical and agrochemical synthesis. The methoxy and nitrile functional groups enhance reactivity, enabling selective transformations such as coupling reactions or further functionalization. Its well-defined aromatic system contributes to stability, making it suitable for use in controlled synthetic pathways. The compound is typically characterized by high purity and consistent performance, ensuring reliability in research and industrial processes. Proper handling and storage are recommended to maintain its integrity for specialized chemical synthesis.
2-(3-Methoxyphenyl)benzonitrile structure
154848-36-9 structure
Product Name:2-(3-Methoxyphenyl)benzonitrile
CAS No:154848-36-9
MF:C14H11NO
MW:209.243243455887
MDL:MFCD20529474
CID:1037635
PubChem ID:19782843
Update Time:2025-06-30

2-(3-Methoxyphenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3'-Methoxy-[1,1'-biphenyl]-2-carbonitrile
    • 2-(3-methoxyphenyl)benzonitrile
    • ACMC-209dbj
    • AK108121
    • ANW-21533
    • CTK0E7762
    • MolPort-020-003-503
    • SureCN9469502
    • 3-Methoxy-[1,1-biphenyl]-2-carbonitrile
    • CS-0212283
    • 3'-Methoxy[1,1'-biphenyl]-2-carbonitrile
    • BS-27483
    • MFCD20529474
    • DTXSID70599870
    • SCHEMBL9469502
    • 154848-36-9
    • 3 inverted exclamation marka-Methoxy[1,1 inverted exclamation marka-biphenyl]-2-carbonitrile
    • 2-(3-Methoxyphenyl)benzonitrile
    • MDL: MFCD20529474
    • Inchi: 1S/C14H11NO/c1-16-13-7-4-6-11(9-13)14-8-3-2-5-12(14)10-15/h2-9H,1H3
    • InChI Key: AVHMBEWBXCSBHX-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC(=C1)C1C=CC=CC=1C#N

Computed Properties

  • Exact Mass: 209.08400
  • Monoisotopic Mass: 209.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 267
  • 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: 3.5
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02000
  • LogP: 3.23388

2-(3-Methoxyphenyl)benzonitrile 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%

2-(3-Methoxyphenyl)benzonitrile Pricemore >>

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Additional information on 2-(3-Methoxyphenyl)benzonitrile

Introduction to 2-(3-Methoxyphenyl)benzonitrile (CAS No. 154848-36-9)

2-(3-Methoxyphenyl)benzonitrile, identified by the Chemical Abstracts Service Number (CAS No.) 154848-36-9, is a significant organic compound that has garnered considerable attention in the field of pharmaceutical and chemical research. This compound, featuring a benzonitrile moiety attached to a 3-methoxyphenyl group, exhibits unique structural and functional properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for various applications in medicinal chemistry.

The molecular structure of 2-(3-Methoxyphenyl)benzonitrile consists of a benzene ring substituted with a nitrile group at the 2-position and a methoxy group at the 3-position. This arrangement imparts specific electronic and steric characteristics to the molecule, influencing its reactivity and interactions with biological targets. The presence of both electron-withdrawing (nitrile) and electron-donating (methoxy) groups creates a delicate balance that can be exploited in drug design, particularly in modulating binding affinity and selectivity.

In recent years, 2-(3-Methoxyphenyl)benzonitrile has been extensively studied for its potential applications in the development of novel therapeutic agents. The benzonitrile scaffold is a well-known pharmacophore in medicinal chemistry, often found in bioactive molecules targeting various diseases. The methoxyphenyl moiety, on the other hand, is known for its ability to enhance solubility and metabolic stability, making it an attractive feature for drug candidates.

One of the most compelling aspects of 2-(3-Methoxyphenyl)benzonitrile is its utility as a building block in synthetic chemistry. The nitrile group can undergo various transformations, such as hydrolysis to carboxylic acids or reduction to amides, providing multiple pathways for derivatization. This flexibility allows chemists to modify the compound's properties systematically, tailoring it for specific biological activities. For instance, researchers have explored its use in synthesizing small-molecule inhibitors targeting enzymes involved in cancer pathways.

Recent studies have highlighted the role of 2-(3-Methoxyphenyl)benzonitrile in developing kinase inhibitors. Kinases are critical enzymes in cellular signaling pathways, and their dysregulation is implicated in numerous diseases, particularly cancer. By incorporating the benzonitrile and methoxyphenyl moieties into kinase inhibitors, researchers aim to achieve high selectivity and potency. Preliminary findings suggest that derivatives of 2-(3-Methoxyphenyl)benzonitrile exhibit promising inhibitory activity against certain kinases, making them attractive candidates for further development.

The compound's potential extends beyond kinase inhibition. Its structural features also make it suitable for targeting other biological processes. For example, the nitrile group can interact with metal ions, which is relevant in designing metalloproteinase inhibitors. Additionally, the methoxyphenyl ring can engage in hydrogen bonding and π-stacking interactions with biological targets, enhancing binding affinity. These properties have prompted investigations into its use as an intermediate in designing ligands for G-protein coupled receptors (GPCRs), which are involved in a wide range of physiological processes.

From a synthetic perspective, 2-(3-Methoxyphenyl)benzonitrile can be synthesized through several routes, including nucleophilic substitution reactions on halogenated benzonitriles or cross-coupling reactions involving aryl halides. Advances in catalytic systems have enabled more efficient and scalable synthesis methods, reducing costs and improving yields. These developments have made 2-(3-Methoxyphenyl)benzonitrile more accessible for research purposes, fostering further exploration of its applications.

The pharmaceutical industry has taken note of the potential of 2-(3-Methoxyphenyl)benzonitrile, leading to increased investment in related research. Companies are actively exploring derivatives of this compound as lead compounds for new drugs. Collaborative efforts between academia and industry are yielding novel insights into its pharmacological properties and mechanisms of action. This synergy is crucial for translating laboratory discoveries into tangible therapeutic benefits.

In conclusion,2-(3-Methoxyphenyl)benzonitrile (CAS No. 154848-36-9) represents a versatile and promising compound with significant implications in pharmaceutical research. Its unique structural features make it an excellent candidate for developing new drugs targeting various diseases. As synthetic methods continue to improve and our understanding of its biological interactions deepens,2-(3-Methoxyphenyl)benzonitrile is poised to play a pivotal role in future advancements in medicinal chemistry.

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