Cas no 886498-99-3 (3-Fluoro-4-(trifluoromethoxy)benzyl alcohol)

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol is a fluorinated aromatic alcohol with significant utility in pharmaceutical and agrochemical synthesis. Its key structural features include a benzyl alcohol group substituted with both fluorine and trifluoromethoxy moieties, enhancing its reactivity and stability in diverse chemical transformations. The presence of fluorine atoms improves lipophilicity and metabolic stability, making it valuable in the design of bioactive compounds. This compound serves as a versatile intermediate for constructing complex molecules, particularly in medicinal chemistry, where fluorinated analogs are often sought for their enhanced binding affinity and pharmacokinetic properties. Its well-defined purity and consistent performance make it suitable for precision applications in research and industrial settings.
3-Fluoro-4-(trifluoromethoxy)benzyl alcohol structure
886498-99-3 structure
Product Name:3-Fluoro-4-(trifluoromethoxy)benzyl alcohol
CAS No:886498-99-3
MF:C8H6F4O2
MW:210.125656604767
CID:993283
PubChem ID:17750671
Update Time:2025-09-28

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Chemical and Physical Properties

Names and Identifiers

    • (3-Fluoro-4-(trifluoromethoxy)phenyl)methanol
    • [3-fluoro-4-(trifluoromethoxy)phenyl]methanol
    • 3-FLUORO-4-(TRIFLUOROMETHOXY)BENZYL ALCOHOL
    • (3-fluoro-4-trifluoromethoxy-phenyl)-methanol
    • 3-fluoro-4-trifluoromethoxybenzyl alcohol
    • JRD-1735
    • SCHEMBL2447332
    • AKOS015956733
    • MFCD06660204
    • 886498-99-3
    • D74501
    • DTXSID20590635
    • CS-0084354
    • JS-4406
    • DB-327741
    • 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol
    • MDL: F187752
    • Inchi: 1S/C8H6F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
    • InChI Key: YWURSIMNFATYRB-UHFFFAOYSA-N
    • SMILES: FC1C=C(CO)C=CC=1OC(F)(F)F

Computed Properties

  • Exact Mass: 210.03000
  • Monoisotopic Mass: 210.03039208g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 183
  • 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: 29.5?2

Experimental Properties

  • Density: 1.421
  • Boiling Point: 207.2°C at 760 mmHg
  • Flash Point: 103.8°C
  • Refractive Index: 1.451
  • PSA: 29.46000
  • LogP: 2.21660
  • Vapor Pressure: 0.1±0.4 mmHg at 25°C

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Security Information

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol Pricemore >>

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Additional information on 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol

Introduction to 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol (CAS No. 886498-99-3) in Modern Chemical and Pharmaceutical Research

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol, identified by the chemical compound code CAS No. 886498-99-3, represents a significant advancement in the realm of specialized organic chemistry. This compound, characterized by its unique structural composition featuring both a fluoro group and a trifluoromethoxy substituent on a benzyl alcohol backbone, has garnered considerable attention in recent years due to its versatile applications across multiple scientific disciplines. The strategic placement of these halogenated functional groups imparts distinct electronic and steric properties, making it a valuable intermediate in the synthesis of complex molecules.

The fluoro and trifluoromethoxy groups are not merely decorative; they play pivotal roles in modulating the reactivity and selectivity of the molecule. The electron-withdrawing nature of these substituents can significantly influence the acidity or basicity of adjacent functional groups, thereby enabling precise control over reaction pathways. This characteristic is particularly advantageous in pharmaceutical synthesis, where regioselectivity is often a critical factor in achieving desired drug candidates.

In recent years, there has been a surge in research exploring the applications of fluorinated aromatic compounds in medicinal chemistry. The presence of fluorine atoms is well-documented to enhance metabolic stability, improve binding affinity to biological targets, and modulate pharmacokinetic properties of drug molecules. For instance, studies have demonstrated that fluorine substitution can lead to increased lipophilicity and reduced susceptibility to enzymatic degradation, thereby extending the half-life of therapeutic agents.

3-Fluoro-4-(trifluoromethoxy)benzyl alcohol serves as an excellent building block for constructing more complex pharmacophores. Its benzyl alcohol moiety can act as a nucleophilic handle for further functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These reactions are fundamental in modern drug discovery, allowing chemists to seamlessly integrate diverse molecular fragments into larger scaffolds.

The pharmaceutical industry has shown particular interest in this compound due to its potential utility in developing novel therapeutics. Current research initiatives are leveraging its structural features to design molecules with enhanced efficacy against various diseases, including oncology and neurodegenerative disorders. Preliminary studies indicate that derivatives of 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol exhibit promising biological activity by interacting with key enzymes or receptors involved in disease pathways.

Beyond pharmaceutical applications, this compound finds utility in agrochemical research as well. The unique electronic properties conferred by the halogen substituents make it an attractive candidate for synthesizing advanced crop protection agents with improved environmental profiles and enhanced performance characteristics.

The synthesis of 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol itself presents an intriguing challenge for organic chemists. Given its complexity, multiple synthetic routes have been explored, each with distinct advantages and limitations. Recent advances in catalytic methods have enabled more efficient and scalable production processes, reducing costs and improving yields. These developments are crucial for ensuring that sufficient quantities of the compound are available for both academic research and industrial applications.

In conclusion, 3-Fluoro-4-(trifluoromethoxy)benzyl alcohol (CAS No. 886498-99-3) stands as a testament to the power of structural tailoring in modern chemistry. Its unique combination of functional groups makes it an indispensable tool for researchers striving to push the boundaries of molecular design. As our understanding of its properties continues to grow, so too will its role in shaping the future of pharmaceuticals and beyond.

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