Cas no 1221793-69-6 (2-(5-Bromo-2-methoxyphenoxy)acetonitrile)

2-(5-Bromo-2-methoxyphenoxy)acetonitrile is a brominated aromatic compound featuring a methoxy and cyanoethyl functional group. This intermediate is valuable in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive nitrile group enables further derivatization, while the bromine substituent offers a handle for cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. The methoxy group enhances solubility and influences electronic properties, making it useful in fine chemical applications. The compound is typically handled under controlled conditions due to its reactivity. Its well-defined structure and functional versatility make it a useful building block for researchers in medicinal and materials chemistry.
2-(5-Bromo-2-methoxyphenoxy)acetonitrile structure
1221793-69-6 structure
Product Name:2-(5-Bromo-2-methoxyphenoxy)acetonitrile
CAS No:1221793-69-6
MF:C9H8BrNO2
MW:242.069321632385
MDL:MFCD16036123
CID:1086126
PubChem ID:53216872
Update Time:2025-11-05

2-(5-Bromo-2-methoxyphenoxy)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Bromo-2-methoxyphenoxy)acetonitrile
    • BS-21254
    • (5-Bromo-2-methoxyphenoxy)acetonitrile
    • Acetonitrile, 2-(5-bromo-2-methoxyphenoxy)-
    • 1221793-69-6
    • AKOS015834721
    • 2-(3-Bromo-6-methoxy-phenoxy)acetonitrile
    • DB-364106
    • DTXSID60682003
    • MFCD16036123
    • WYB79369
    • MDL: MFCD16036123
    • Inchi: 1S/C9H8BrNO2/c1-12-8-3-2-7(10)6-9(8)13-5-4-11/h2-3,6H,5H2,1H3
    • InChI Key: PQWGGDKJXBFASE-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OCC#N)OC

Computed Properties

  • Exact Mass: 240.97400
  • Monoisotopic Mass: 240.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 201
  • 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: 2.3
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25000
  • LogP: 2.36008

2-(5-Bromo-2-methoxyphenoxy)acetonitrile 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-(5-Bromo-2-methoxyphenoxy)acetonitrile Pricemore >>

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AB271055-5g
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abcr
AB271055-25g
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2-(5-Bromo-2-methoxyphenoxy)acetonitrile Related Literature

Additional information on 2-(5-Bromo-2-methoxyphenoxy)acetonitrile

Research Briefing on 2-(5-Bromo-2-methoxyphenoxy)acetonitrile (CAS: 1221793-69-6) in Chemical Biology and Pharmaceutical Applications

2-(5-Bromo-2-methoxyphenoxy)acetonitrile (CAS: 1221793-69-6) is a specialized chemical compound that has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug discovery. This briefing synthesizes the latest research findings on this compound, focusing on its synthesis, biological activity, and therapeutic potential. The compound's unique structural features, including the bromo-methoxy aromatic system and the nitrile functional group, make it a versatile intermediate for the development of novel pharmaceuticals.

Recent studies have highlighted the role of 2-(5-Bromo-2-methoxyphenoxy)acetonitrile as a key building block in the synthesis of bioactive molecules. For instance, researchers have utilized this compound in the development of kinase inhibitors, which are critical for targeting cancer pathways. The bromine atom at the 5-position of the aromatic ring provides a reactive site for further functionalization, enabling the creation of diverse derivatives with tailored biological activities. Additionally, the methoxy group enhances the compound's stability and bioavailability, making it an attractive candidate for drug development.

In a 2023 study published in the Journal of Medicinal Chemistry, scientists explored the anti-inflammatory properties of derivatives synthesized from 2-(5-Bromo-2-methoxyphenoxy)acetonitrile. The results demonstrated significant inhibition of pro-inflammatory cytokines, suggesting potential applications in treating chronic inflammatory diseases. Another study, featured in Bioorganic & Medicinal Chemistry Letters, investigated the compound's role in modulating enzyme activity, particularly in the context of neurodegenerative disorders. These findings underscore the compound's versatility and its promise as a scaffold for designing new therapeutic agents.

The synthesis of 2-(5-Bromo-2-methoxyphenoxy)acetonitrile has also been optimized in recent years, with researchers developing more efficient and environmentally friendly protocols. A 2022 publication in Organic Process Research & Development detailed a novel catalytic method that reduces waste and improves yield, addressing some of the challenges associated with large-scale production. These advancements are crucial for facilitating the compound's transition from laboratory research to industrial applications.

Looking ahead, the potential of 2-(5-Bromo-2-methoxyphenoxy)acetonitrile extends beyond its current applications. Ongoing research is exploring its use in targeted drug delivery systems and as a probe for studying biological mechanisms. The compound's ability to interact with various biomolecules makes it a valuable tool for chemical biology studies. Furthermore, collaborations between academic institutions and pharmaceutical companies are expected to accelerate the translation of these discoveries into clinical applications.

In conclusion, 2-(5-Bromo-2-methoxyphenoxy)acetonitrile (CAS: 1221793-69-6) represents a promising avenue for innovation in chemical biology and pharmaceutical research. Its multifaceted applications, coupled with recent advancements in synthesis and characterization, position it as a compound of significant interest for future drug development efforts. Researchers and industry professionals are encouraged to explore its potential further, leveraging its unique properties to address unmet medical needs.

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