Cas no 886503-74-8 (2,3-Difluoro-4-methoxyphenylacetonitrile)

2,3-Difluoro-4-methoxyphenylacetonitrile is a fluorinated aromatic nitrile compound with applications in pharmaceutical and agrochemical synthesis. Its key structural features—the difluoro and methoxy substituents—enhance reactivity and selectivity in nucleophilic substitution and coupling reactions, making it a valuable intermediate for constructing complex molecules. The electron-withdrawing nitrile group further facilitates functionalization, while the methoxy moiety improves solubility in organic solvents. This compound is particularly useful in the development of bioactive molecules due to its ability to modulate electronic and steric properties. High purity grades ensure consistent performance in research and industrial processes. Proper handling is advised due to its potential toxicity.
2,3-Difluoro-4-methoxyphenylacetonitrile structure
886503-74-8 structure
Product Name:2,3-Difluoro-4-methoxyphenylacetonitrile
CAS No:886503-74-8
MF:C9H7F2NO
MW:183.154789209366
MDL:MFCD06660320
CID:3142887
PubChem ID:17750813
Update Time:2025-08-05

2,3-Difluoro-4-methoxyphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-4-methoxyphenylacetonitrile
    • 2-(2,3-Difluoro-4-methoxyphenyl)acetonitrile
    • E76424
    • MFCD06660320
    • AKOS006295638
    • 886503-74-8
    • SCHEMBL7097601
    • CS-0199256
    • JS-4497
    • LKB50374
    • MDL: MFCD06660320
    • Inchi: 1S/C9H7F2NO/c1-13-7-3-2-6(4-5-12)8(10)9(7)11/h2-3H,4H2,1H3
    • InChI Key: YVIZAGHEMVWERG-UHFFFAOYSA-N
    • SMILES: FC1C(=C(C=CC=1CC#N)OC)F

Computed Properties

  • Exact Mass: 183.04957017g/mol
  • Monoisotopic Mass: 183.04957017g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 1.7
  • Topological Polar Surface Area: 33?2

2,3-Difluoro-4-methoxyphenylacetonitrile Pricemore >>

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Additional information on 2,3-Difluoro-4-methoxyphenylacetonitrile

Introduction to 2,3-Difluoro-4-methoxyphenylacetonitrile (CAS No. 886503-74-8)

2,3-Difluoro-4-methoxyphenylacetonitrile is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its unique structural and functional properties. With the CAS number 886503-74-8, this compound serves as a crucial intermediate in the synthesis of various biologically active molecules. Its molecular structure, characterized by the presence of both fluoro and methoxy substituents, imparts distinct reactivity and stability, making it a valuable building block for drug development and material science applications.

The fluoro and methoxy functional groups in 2,3-Difluoro-4-methoxyphenylacetonitrile play a pivotal role in modulating the electronic and steric properties of the molecule. The fluorine atoms, known for their ability to enhance metabolic stability and binding affinity, contribute to the compound's suitability for medicinal chemistry applications. Meanwhile, the methoxy group introduces polarity and hydrophilicity, which can influence solubility and interaction with biological targets. This combination of substituents makes 2,3-Difluoro-4-methoxyphenylacetonitrile a versatile precursor for designing novel therapeutic agents.

In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting complex diseases such as cancer, inflammation, and neurodegenerative disorders. The structural motifs present in 2,3-Difluoro-4-methoxyphenylacetonitrile have been leveraged to create molecules with enhanced pharmacological profiles. For instance, studies have demonstrated its utility in synthesizing kinase inhibitors, where the fluoro group helps in optimizing binding interactions with the enzyme active site. Additionally, derivatives of this compound have shown promise in modulating signaling pathways involved in disease progression.

One of the most compelling aspects of 2,3-Difluoro-4-methoxyphenylacetonitrile is its role in generating libraries of compounds for high-throughput screening (HTS). The structural diversity introduced by varying reaction conditions or substituents allows researchers to explore a wide range of biological activities. Recent advancements in computational chemistry have further accelerated this process by enabling virtual screening of potential hits derived from this intermediate. Such methodologies have been instrumental in identifying lead compounds that exhibit high efficacy and low toxicity.

The pharmaceutical industry has also recognized the importance of 2,3-Difluoro-4-methoxyphenylacetonitrile in developing next-generation therapeutics. Its incorporation into drug candidates has led to improved pharmacokinetic properties, including enhanced bioavailability and reduced clearance rates. This is particularly relevant in the context of oral medications, where these attributes can significantly impact therapeutic outcomes. Moreover, the compound's compatibility with various synthetic protocols makes it an attractive choice for industrial-scale production.

Beyond pharmaceutical applications, 2,3-Difluoro-4-methoxyphenylacetonitrile finds utility in material science research. Its unique electronic properties make it suitable for developing organic semiconductors and optoelectronic materials. These materials are integral to technologies such as organic light-emitting diodes (OLEDs) and photovoltaic cells, where precise control over molecular structure is essential for optimizing performance. The ability to fine-tune electronic characteristics through strategic substitution has positioned this compound as a key player in advancing sustainable technologies.

The synthesis of 2,3-Difluoro-4-methoxyphenylacetonitrile itself is a testament to the progress achieved in synthetic organic chemistry. Modern methodologies have enabled more efficient and scalable production processes compared to earlier techniques. This improvement not only reduces costs but also minimizes waste generation, aligning with green chemistry principles. Researchers continue to explore innovative synthetic routes to further enhance yield and purity while maintaining scalability.

As our understanding of biological systems evolves, so does the demand for sophisticated chemical tools like 2,3-Difluoro-4-methoxyphenylacetonitrile. The integration of machine learning and artificial intelligence into drug discovery has opened new avenues for designing molecules with tailored properties. By leveraging these technologies alongside traditional chemical intuition, scientists can accelerate the development of novel therapeutics that address unmet medical needs more effectively than ever before.

In conclusion,2,3-Difluoro-4-methoxyphenylacetonitrile (CAS No. 886503-74-8) represents a cornerstone compound in modern chemical research with far-reaching implications across multiple disciplines. Its unique structural features combined with its versatility make it an indispensable tool for scientists striving to push the boundaries of medicine and materials science forward.

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