Cas no 1243289-64-6 (2-Fluoro-5-(propan-2-yloxy)phenol)

2-Fluoro-5-(propan-2-yloxy)phenol is a fluorinated phenolic compound featuring an isopropoxy substituent at the 5-position. This structural configuration imparts unique reactivity and physicochemical properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The fluorine atom enhances electron-withdrawing effects, influencing the compound's acidity and binding interactions, while the isopropoxy group contributes to steric and solubility characteristics. Its well-defined structure allows for precise modifications in drug design and agrochemical applications. The compound is typically handled under controlled conditions due to its reactive phenolic hydroxyl group, ensuring stability and purity for research and industrial use.
2-Fluoro-5-(propan-2-yloxy)phenol structure
1243289-64-6 structure
Product Name:2-Fluoro-5-(propan-2-yloxy)phenol
CAS No:1243289-64-6
MF:C9H11FO2
MW:170.180846452713
MDL:MFCD16997357
CID:4564307
Update Time:2025-11-02

2-Fluoro-5-(propan-2-yloxy)phenol Chemical and Physical Properties

Names and Identifiers

    • 2-FLUORO-5-(PROPAN-2-YLOXY)PHENOL
    • 2-fluoro-5-propan-2-yloxyphenol
    • 2-FLUORO-5-ISOPROPOXYPHENOL
    • MB23035
    • 2-Fluoro-5-(propan-2-yloxy)phenol
    • MDL: MFCD16997357
    • Inchi: 1S/C9H11FO2/c1-6(2)12-7-3-4-8(10)9(11)5-7/h3-6,11H,1-2H3
    • InChI Key: IGAFZKVUAHEQDV-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1O)OC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 139
  • XLogP3: 2.4
  • Topological Polar Surface Area: 29.5

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Additional information on 2-Fluoro-5-(propan-2-yloxy)phenol

Comprehensive Guide to 2-Fluoro-5-(propan-2-yloxy)phenol (CAS No. 1243289-64-6): Properties, Applications, and Market Insights

2-Fluoro-5-(propan-2-yloxy)phenol (CAS No. 1243289-64-6) is a fluorinated phenolic compound with significant potential in pharmaceutical and agrochemical research. This specialty chemical has garnered attention due to its unique structural features, combining a fluoro substituent with an isopropoxy group on the phenolic ring. The presence of both electron-withdrawing (fluoro) and electron-donating (alkoxy) groups creates interesting electronic properties that make this compound valuable for various synthetic applications.

The molecular structure of 2-Fluoro-5-(propan-2-yloxy)phenol contributes to its moderate polarity, with a calculated logP of approximately 2.1, suggesting good solubility in both organic solvents and partially aqueous systems. Recent studies in medicinal chemistry have explored its potential as a building block for drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. The compound's melting point ranges between 45-50°C, and it typically appears as a white to off-white crystalline powder under standard conditions.

In the context of current research trends, 2-Fluoro-5-(propan-2-yloxy)phenol has shown promise in the development of sustainable agrochemicals, aligning with the growing demand for environmentally friendly crop protection solutions. Its structural motif appears in several patent applications for novel herbicides and fungicides that demonstrate improved selectivity and reduced environmental persistence compared to traditional products. This application area has become particularly relevant as the agricultural sector seeks alternatives to older chemistries facing regulatory restrictions.

The synthesis of 2-Fluoro-5-(propan-2-yloxy)phenol typically involves selective fluorination of appropriate phenolic precursors, followed by etherification with isopropyl alcohol derivatives. Recent process optimization efforts have focused on improving atom economy and reducing the need for hazardous reagents, reflecting the pharmaceutical industry's commitment to green chemistry principles. Analytical characterization commonly employs techniques such as HPLC (typically showing purity >98%), GC-MS, and 1H/19F NMR spectroscopy.

From a commercial perspective, the market for fluorinated phenolic compounds like 2-Fluoro-5-(propan-2-yloxy)phenol has shown steady growth, driven by increasing R&D investment in life sciences and specialty chemicals. Current pricing intelligence suggests this compound occupies a niche position in the fine chemicals market, with procurement primarily through specialty chemical suppliers serving the pharmaceutical and agrochemical sectors. Storage recommendations typically include protection from light in cool, dry conditions, with stability data indicating good shelf life when properly handled.

Recent scientific literature highlights innovative applications of 2-Fluoro-5-(propan-2-yloxy)phenol in material science, particularly as a monomer for specialty polymers with enhanced thermal stability. Researchers have incorporated similar fluorinated phenolic structures into polyimides and epoxy resins, yielding materials with improved dielectric properties for electronics applications. This development aligns with industry needs for advanced materials in 5G technology infrastructure and high-performance computing components.

Quality control protocols for 2-Fluoro-5-(propan-2-yloxy)phenol typically specify limits for residual solvents, heavy metals, and related substances, reflecting its potential use in regulated applications. Analytical methods development has benefited from advances in chromatographic techniques, particularly UHPLC with advanced detection systems that provide greater sensitivity and specificity for impurity profiling. These quality considerations have become increasingly important as regulatory standards for fine chemicals continue to tighten globally.

The environmental fate of 2-Fluoro-5-(propan-2-yloxy)phenol has been studied through biodegradation and ecotoxicity testing, with results suggesting moderate persistence in aquatic systems. These findings have informed proper handling and disposal guidelines, emphasizing the compound's classification as requiring responsible environmental management. Such data supports the growing trend of sustainability reporting in the chemical industry, where transparency about environmental impact has become a competitive differentiator.

Looking forward, the scientific community anticipates expanded applications for 2-Fluoro-5-(propan-2-yloxy)phenol in bioconjugation chemistry and proteolysis-targeting chimera (PROTAC) development, areas experiencing rapid growth in drug discovery. The compound's ability to serve as a versatile synthetic intermediate positions it well to meet emerging needs in these cutting-edge research fields. Market analysts project increased demand for such structurally sophisticated building blocks as therapeutic modalities continue to evolve toward more complex molecular architectures.

For researchers considering 2-Fluoro-5-(propan-2-yloxy)phenol for their projects, current best practices recommend thorough evaluation of synthetic routes to ensure optimal yield and purity. The development of scalable processes for this compound remains an active area of investigation, with recent publications highlighting innovative catalytic approaches that improve efficiency. These methodological advances contribute to the broader goal of process intensification in fine chemical manufacturing, addressing both economic and environmental considerations.

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