Cas no 885269-73-8 (4-[(2,6-difluorophenyl)methoxy]benzaldehyde)

4-[(2,6-Difluorophenyl)methoxy]benzaldehyde is a fluorinated aromatic aldehyde derivative characterized by its unique structural features, including a benzaldehyde core substituted with a 2,6-difluorobenzyloxy group. This compound is of interest in synthetic organic chemistry due to its potential as a versatile intermediate for pharmaceuticals, agrochemicals, and advanced materials. The presence of fluorine atoms enhances its reactivity and stability, making it suitable for selective functionalization and cross-coupling reactions. Its well-defined molecular structure allows for precise modifications, facilitating the development of target-specific derivatives. The compound is typically handled under controlled conditions due to its sensitivity, ensuring high purity and consistency for research and industrial applications.
4-[(2,6-difluorophenyl)methoxy]benzaldehyde structure
885269-73-8 structure
Product Name:4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CAS No:885269-73-8
MF:C14H10F2O2
MW:248.224811077118
MDL:MFCD04114367
CID:710665
PubChem ID:53407834
Update Time:2025-05-22

4-[(2,6-difluorophenyl)methoxy]benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,4-[(2,6-difluorophenyl)methoxy]-
    • 4-(2,6-DIFLUORO-BENZYLOXY)-BENZALDEHYDE
    • 4-(2,6-DIFLUORO-BENZYLOXY)BENZALDEHYDE,
    • 4-[(2,6-difluorophenyl)methoxy]benzaldehyde
    • 4-((2,6-Difluorobenzyl)oxy)benzaldehyde
    • DTXSID20696060
    • AB18161
    • SCHEMBL6685478
    • 885269-73-8
    • 4-(2,6-difluorobenzyloxy)benzaldehyde
    • 4-[(2,6-Difluorobenzyl)oxy]benzaldehyde
    • MDL: MFCD04114367
    • Inchi: 1S/C14H10F2O2/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-8H,9H2
    • InChI Key: PMCRPRRSOVNCSB-UHFFFAOYSA-N
    • SMILES: FC1C=CC=C(C=1COC1C=CC(C=O)=CC=1)F

Computed Properties

  • Exact Mass: 248.06500
  • Monoisotopic Mass: 248.065
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 255
  • 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
  • Topological Polar Surface Area: 26.3A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.35630

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Additional information on 4-[(2,6-difluorophenyl)methoxy]benzaldehyde

4-[(2,6-Difluorophenyl)methoxy]benzaldehyde (CAS No. 885269-73-8)

4-[(2,6-Difluorophenyl)methoxy]benzaldehyde, also known by its CAS registry number CAS 885269-73-8, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a benzaldehyde moiety with a difluorophenylmethoxy substituent. The presence of fluorine atoms at the 2 and 6 positions of the phenyl ring introduces interesting electronic and steric properties, making this compound a valuable building block in synthetic chemistry.

The synthesis of 4-[(2,6-difluorophenyl)methoxy]benzaldehyde typically involves multi-step reactions, often starting from readily available aromatic aldehydes and fluorinated phenols. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and improving the scalability of production processes. The compound's stability under various reaction conditions has also been extensively studied, making it suitable for use in demanding chemical transformations.

In terms of applications, 4-[(2,6-difluorophenyl)methoxy]benzaldehyde has found significant utility in the field of drug discovery. Its ability to act as a versatile intermediate in the construction of bioactive molecules has been highlighted in several recent studies. For instance, researchers have utilized this compound to synthesize potential anticancer agents by incorporating it into complex heterocyclic frameworks. The fluorine atoms in its structure contribute to enhanced pharmacokinetic properties, such as improved solubility and bioavailability.

Beyond pharmaceuticals, this compound has also been explored for its role in materials science. Its unique electronic properties make it a candidate for use in organic electronics, particularly in the development of advanced polymers and semiconducting materials. Recent research has focused on its ability to participate in click chemistry reactions, enabling the creation of cross-linked polymer networks with tailored mechanical and electrical properties.

The toxicological profile of CAS 885269-73-8 has been evaluated in several studies to ensure its safe handling and application. Results indicate that while it exhibits low acute toxicity, proper precautions should be taken during synthesis and use to minimize exposure risks. These findings align with broader trends toward safer chemical practices in modern research and industry.

In conclusion, 4-[(2,6-difluorophenyl)methoxy]benzaldehyde stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its unique structure and reactivity continue to inspire innovative research directions, solidifying its position as an essential tool in contemporary chemical science.

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