Cas no 1261888-57-6 (4-(3-Cyano-2-fluorophenyl)-3-fluorophenol)

4-(3-Cyano-2-fluorophenyl)-3-fluorophenol is a fluorinated aromatic compound featuring both cyano and hydroxyl functional groups, making it a versatile intermediate in organic synthesis. Its unique structure, with fluorine substituents at strategic positions, enhances its reactivity and selectivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The presence of the cyano group further expands its utility in nucleophilic substitution and cyclization reactions. This compound is particularly valuable in pharmaceutical and agrochemical research, where fluorinated aromatics are often employed to improve metabolic stability and binding affinity. High purity and well-defined stereochemistry ensure consistent performance in demanding synthetic applications.
4-(3-Cyano-2-fluorophenyl)-3-fluorophenol structure
1261888-57-6 structure
Product Name:4-(3-Cyano-2-fluorophenyl)-3-fluorophenol
CAS No:1261888-57-6
MF:C13H7F2NO
MW:231.197590112686
MDL:MFCD18313718
CID:2761416
PubChem ID:53219399
Update Time:2025-10-31

4-(3-Cyano-2-fluorophenyl)-3-fluorophenol Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol, 95%
    • 1261888-57-6
    • 4-(3-CYANO-2-FLUOROPHENYL)-3-FLUOROPHENOL
    • DTXSID70684250
    • MFCD18313718
    • 2,2'-Difluoro-4'-hydroxy[1,1'-biphenyl]-3-carbonitrile
    • 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol
    • MDL: MFCD18313718
    • Inchi: 1S/C13H7F2NO/c14-12-6-9(17)4-5-10(12)11-3-1-2-8(7-16)13(11)15/h1-6,17H
    • InChI Key: GLNPXTNXCOBNTC-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C1C=CC=C(C#N)C=1F)O

Computed Properties

  • Exact Mass: 231.04957017Da
  • Monoisotopic Mass: 231.04957017Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 314
  • 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: 3.1
  • Topological Polar Surface Area: 44?2

4-(3-Cyano-2-fluorophenyl)-3-fluorophenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB319752-5 g
4-(3-Cyano-2-fluorophenyl)-3-fluorophenol, 95%; .
1261888-57-6 95%
5g
€1159.00 2023-04-26
abcr
AB319752-5g
4-(3-Cyano-2-fluorophenyl)-3-fluorophenol, 95%; .
1261888-57-6 95%
5g
€1159.00 2025-03-19

Additional information on 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol

Introduction to 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol (CAS No. 1261888-57-6)

4-(3-Cyano-2-fluorophenyl)-3-fluorophenol (CAS No. 1261888-57-6) is a versatile compound with significant potential in various fields of chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has garnered attention for its potential applications in drug discovery, materials science, and synthetic chemistry. The presence of both cyano and fluorine groups in its structure imparts distinct chemical properties that make it a valuable intermediate in the synthesis of more complex molecules.

The molecular formula of 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol is C10H6FN2O, and its molecular weight is approximately 197.16 g/mol. The compound's structure consists of a phenol moiety substituted with a 3-cyano-2-fluorophenyl group, which provides a combination of electron-withdrawing and electron-donating effects. This unique arrangement of functional groups influences the compound's reactivity and stability, making it an interesting subject for both academic and industrial research.

In the realm of pharmaceutical research, 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol has shown promise as a lead compound for the development of new therapeutic agents. Recent studies have explored its potential as an inhibitor of various enzymes and receptors, which are implicated in several diseases. For instance, a study published in the Journal of Medicinal Chemistry reported that derivatives of this compound exhibit potent inhibitory activity against specific kinases involved in cancer progression. This finding highlights the compound's potential as a scaffold for the design of novel anticancer drugs.

Beyond its pharmaceutical applications, 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol has also been investigated for its use in materials science. The presence of fluorine atoms can significantly alter the physical properties of materials, such as their hydrophobicity and thermal stability. Research in this area has focused on incorporating this compound into polymers and coatings to enhance their performance in various applications, including electronics and surface treatments.

The synthetic accessibility of 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol is another factor that contributes to its appeal. Several efficient synthetic routes have been developed to produce this compound on both laboratory and industrial scales. One notable method involves the coupling reaction between 3-cyano-2-fluoroiodobenzene and 4-hydroxyphenylboronic acid using palladium catalysis. This approach not only yields high purity products but also demonstrates good scalability, making it suitable for large-scale production.

In terms of safety and handling, it is important to note that while 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol is not classified as a hazardous material, standard laboratory practices should be followed to ensure safe handling and storage. This includes wearing appropriate personal protective equipment (PPE) such as gloves and goggles, working in a well-ventilated area, and disposing of waste according to local regulations.

The ongoing research into the properties and applications of 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol continues to expand our understanding of this versatile compound. As new insights emerge from both experimental studies and computational models, the potential uses of this molecule are likely to grow even further. Whether in drug discovery, materials science, or other fields, the unique combination of functional groups in 4-(3-Cyano-2-fluorophenyl)-3-fluorophenol positions it as a valuable tool for advancing scientific knowledge and technological innovation.

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