Cas no 1261910-30-8 (3-(2,6-difluorophenyl)phenol)

3-(2,6-Difluorophenyl)phenol is a fluorinated aromatic compound characterized by its distinct phenyl and phenol substituents, offering enhanced reactivity and stability due to the electron-withdrawing effects of the fluorine atoms. This structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its fluorine substitution pattern improves metabolic stability and binding affinity in bioactive molecules, while the phenolic group allows for further functionalization. The compound exhibits high purity and consistent performance, making it suitable for precision applications in research and industrial processes. Its compatibility with cross-coupling and other key reactions further underscores its utility in synthetic chemistry.
3-(2,6-difluorophenyl)phenol structure
3-(2,6-difluorophenyl)phenol structure
Product Name:3-(2,6-difluorophenyl)phenol
CAS No:1261910-30-8
MF:C12H8F2O
MW:206.188130378723
MDL:MFCD18312830
CID:1219116
PubChem ID:53218544
Update Time:2025-06-14

3-(2,6-difluorophenyl)phenol Chemical and Physical Properties

Names and Identifiers

    • 3-(2,6-difluorophenyl)phenol
    • 2',6'-Difluoro[1,1'-biphenyl]-3-ol
    • DTXSID50683468
    • 1261910-30-8
    • MFCD18312830
    • BS-30482
    • AKOS017556981
    • MDL: MFCD18312830
    • Inchi: 1S/C12H8F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h1-7,15H
    • InChI Key: KRYIUZXFAWLDBO-UHFFFAOYSA-N
    • SMILES: FC1C=CC=C(C=1C1C=CC=C(C=1)O)F

Computed Properties

  • Exact Mass: 206.05400
  • Monoisotopic Mass: 206.05432120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 200
  • 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: 3.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23000
  • LogP: 3.33740

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Additional information on 3-(2,6-difluorophenyl)phenol

Comprehensive Analysis of 3-(2,6-Difluorophenyl)phenol (CAS No. 1261910-30-8): Properties, Applications, and Industry Trends

3-(2,6-Difluorophenyl)phenol (CAS No. 1261910-30-8) is a fluorinated aromatic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. As a difluorophenyl-substituted phenol, this compound exhibits enhanced stability and reactivity compared to non-fluorinated analogs, making it a valuable intermediate in synthetic chemistry. The presence of ortho-fluorine atoms on the phenyl ring introduces steric and electronic effects that influence its molecular interactions, a feature increasingly exploited in drug design.

Recent studies highlight the growing demand for fluorinated building blocks like 3-(2,6-difluorophenyl)phenol in the development of small-molecule therapeutics. Its CAS registry number (1261910-30-8) frequently appears in patent literature for kinase inhibitors and antimicrobial agents. The compound's lipophilicity-enhancing fluorine atoms align with current trends in bioavailability optimization, addressing a key challenge in modern drug discovery. Researchers also investigate its potential in crop protection chemicals, where fluorinated phenols demonstrate improved pest resistance profiles.

The synthesis of 3-(2,6-difluorophenyl)phenol typically involves palladium-catalyzed cross-coupling between fluorinated aryl halides and phenolic derivatives. This methodology reflects the broader shift toward transition metal-catalyzed reactions in industrial-scale production. Analytical characterization via HPLC-MS and NMR spectroscopy confirms the high purity (>98%) required for pharmaceutical applications. Notably, the compound's thermal stability (decomposition point >200°C) makes it suitable for high-temperature processes.

Environmental considerations surrounding fluorinated organic compounds have prompted innovations in the sustainable manufacturing of 3-(2,6-difluorophenyl)phenol. Green chemistry approaches utilizing biocatalysts and flow reactor technology are being explored to reduce waste generation. These advancements respond to industry demands for eco-friendly synthetic routes while maintaining cost-efficiency – a balance frequently searched by chemical engineers in process optimization queries.

Market analyses indicate rising procurement of 1261910-30-8 by contract research organizations (CROs) specializing in fluorine chemistry. The compound's compatibility with late-stage fluorination techniques positions it as a strategic material for structure-activity relationship (SAR) studies. Regulatory databases show increasing REACH compliance documentation for this substance, reflecting its transition from research-scale to commercial applications.

In material science, derivatives of 3-(2,6-difluorophenyl)phenol demonstrate promise as monomers for high-performance polymers. The electron-withdrawing fluorine substituents improve thermal oxidative stability in polyaryletherketones (PAEKs), a property highly sought after in aerospace composites and electronic encapsulation materials. This multidisciplinary applicability contributes to its growing presence in scientific literature across 15+ Scopus-indexed journals annually.

Quality control protocols for CAS 1261910-30-8 emphasize rigorous impurity profiling, particularly for residual catalyst detection. Advanced techniques like ICP-MS ensure compliance with stringent ICH guidelines for pharmaceutical intermediates. Storage recommendations typically specify argon-protected conditions to prevent oxidative degradation, a detail often queried by laboratory managers in chemical handling forums.

The future trajectory of 3-(2,6-difluorophenyl)phenol research appears closely tied to developments in precision fluorination methodologies. With over 120 recent patent citations referencing this compound, its role in next-generation drug candidates continues to expand. Ongoing investigations explore its utility in PET radiotracer synthesis and liquid crystal formulations, demonstrating the remarkable versatility of this fluorinated phenolic compound.

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