Cas no 87411-27-6 (4-(3-fluorophenoxy)butanoic Acid)

4-(3-Fluorophenoxy)butanoic acid is a fluorinated aromatic carboxylic acid derivative with applications in pharmaceutical and agrochemical research. Its key structural features include a butanoic acid chain linked to a 3-fluorophenoxy group, offering versatility as an intermediate in synthetic chemistry. The fluorine substitution enhances metabolic stability and bioavailability, making it valuable for drug design. The compound's carboxylic acid functionality allows for further derivatization, enabling the synthesis of amides, esters, or other conjugates. Its well-defined purity and consistent quality ensure reliable performance in organic synthesis and medicinal chemistry projects. The product is typically supplied as a white to off-white crystalline solid with characterized analytical data (NMR, HPLC) for verification.
4-(3-fluorophenoxy)butanoic Acid structure
87411-27-6 structure
Product Name:4-(3-fluorophenoxy)butanoic Acid
CAS No:87411-27-6
MF:C10H11FO3
MW:198.190946817398
CID:656570
PubChem ID:6486015
Update Time:2025-10-21

4-(3-fluorophenoxy)butanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-(3-fluorophenoxy)-
    • 4-(3-Fluoro-phenoxy)-butyric acid
    • DTXSID40424549
    • CS-0250664
    • 4-(3-fluorophenoxy)butanoic acid
    • IWYAMFRULTXSGV-UHFFFAOYSA-N
    • 3-(3-fluorophenoxy)propanecarboxylic acid
    • 87411-27-6
    • Z274763238
    • EN300-51804
    • 4-(3-Fluorophenoxy)butyric acid
    • AKOS000103528
    • SCHEMBL3175199
    • 4-(3-fluorophenoxy)butanoic Acid
    • MDL: MFCD08056140
    • Inchi: 1S/C10H11FO3/c11-8-3-1-4-9(7-8)14-6-2-5-10(12)13/h1,3-4,7H,2,5-6H2,(H,12,13)
    • InChI Key: IWYAMFRULTXSGV-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)OCCCC(=O)O

Computed Properties

  • Exact Mass: 198.069
  • Monoisotopic Mass: 198.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 184
  • 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: 46.5A^2
  • XLogP3: 1.8

4-(3-fluorophenoxy)butanoic Acid Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

4-(3-fluorophenoxy)butanoic Acid Pricemore >>

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Additional information on 4-(3-fluorophenoxy)butanoic Acid

4-(3-Fluorophenoxy)butanoic Acid: Properties, Applications, and Market Insights

4-(3-Fluorophenoxy)butanoic Acid (CAS No. 87411-27-6) is a fluorinated organic compound with significant relevance in pharmaceutical and agrochemical research. This compound, also known as 3-Fluorophenoxybutyric Acid, features a butanoic acid backbone substituted with a 3-fluorophenoxy group, making it a versatile intermediate in synthetic chemistry. Its unique structure contributes to its utility in drug discovery and material science applications.

The chemical properties of 4-(3-fluorophenoxy)butanoic Acid include a molecular formula of C10H11FO3 and a molecular weight of 198.19 g/mol. It typically appears as a white to off-white crystalline powder with moderate solubility in organic solvents like ethanol and dimethyl sulfoxide (DMSO). Researchers value its stability under standard laboratory conditions, making it suitable for various synthetic applications.

In the pharmaceutical industry, 4-(3-fluorophenoxy)butanoic Acid serves as a key building block for developing bioactive molecules. Its fluorinated aromatic moiety is particularly valuable in designing compounds with enhanced metabolic stability and membrane permeability—critical factors in modern drug development. Recent studies have explored its potential in creating novel anti-inflammatory agents and central nervous system (CNS) therapeutics, addressing growing market demands for neurological disorder treatments.

The agrochemical sector also benefits from this compound's unique characteristics. As a fluorinated intermediate, it contributes to the synthesis of advanced crop protection agents with improved efficacy and environmental profiles. With increasing global focus on sustainable agriculture, researchers are investigating derivatives of 4-(3-fluorophenoxy)butanoic Acid for developing next-generation herbicides and plant growth regulators.

Market analysis indicates rising demand for fluorinated organic compounds like 4-(3-fluorophenoxy)butanoic Acid, driven by expanding applications in life sciences and materials chemistry. The compound's commercial availability has increased significantly, with suppliers offering various purity grades (98-99%) to meet diverse research needs. Current pricing trends reflect its growing importance in specialty chemical markets, particularly in regions with strong pharmaceutical and agrochemical industries.

From a synthetic chemistry perspective, 4-(3-fluorophenoxy)butanoic Acid offers multiple modification sites for structure-activity relationship (SAR) studies. Chemists can functionalize the carboxylic acid group or the aromatic fluorine position to create diverse molecular architectures. This flexibility makes it particularly valuable in medicinal chemistry optimization campaigns and high-throughput screening libraries.

Environmental and safety considerations for handling 4-(3-fluorophenoxy)butanoic Acid follow standard laboratory protocols for organic compounds. While not classified as hazardous under current regulations, proper personal protective equipment (PPE) including gloves and safety glasses is recommended during handling. The compound should be stored in cool, dry conditions away from strong oxidizers to maintain stability.

Recent scientific literature highlights innovative applications of 4-(3-fluorophenoxy)butanoic Acid derivatives in material science, particularly in developing advanced polymers with specific optical or electronic properties. The fluorine atom's unique characteristics contribute to materials with enhanced thermal stability and chemical resistance, addressing needs in electronics and specialty coatings industries.

For researchers seeking high-purity 4-(3-fluorophenoxy)butanoic Acid, several specialty chemical suppliers provide the compound with comprehensive analytical documentation. Quality control typically includes HPLC purity verification, melting point determination, and spectroscopic characterization (NMR, IR) to ensure batch-to-batch consistency for critical applications.

The future outlook for 4-(3-fluorophenoxy)butanoic Acid appears promising, with anticipated growth in its application scope. Emerging research areas include its potential use in bioconjugation chemistry and as a scaffold for proteolysis-targeting chimeras (PROTACs)—a cutting-edge approach in drug discovery. As synthetic methodologies advance, we expect to see more efficient production routes that could further increase its accessibility to the research community.

In conclusion, 4-(3-fluorophenoxy)butanoic Acid (CAS 87411-27-6) represents an important fluorinated building block with wide-ranging applications across multiple scientific disciplines. Its combination of synthetic versatility and physicochemical properties ensures continued relevance in both academic and industrial research settings, particularly in addressing contemporary challenges in healthcare and sustainable chemistry.

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