Cas no 881189-62-4 (3-(3-fluoro-4-methylphenyl)propanoic Acid)

3-(3-Fluoro-4-methylphenyl)propanoic acid is a fluorinated aromatic carboxylic acid derivative with potential applications in pharmaceutical and agrochemical research. The presence of both fluorine and methyl substituents on the phenyl ring enhances its reactivity and metabolic stability, making it a valuable intermediate in the synthesis of bioactive compounds. The propanoic acid moiety provides a functional handle for further derivatization, such as amide or ester formation. This compound is particularly useful in medicinal chemistry for structure-activity relationship (SAR) studies due to its balanced lipophilicity and electronic effects. High purity grades ensure consistent performance in synthetic workflows. Proper handling and storage under inert conditions are recommended to maintain stability.
3-(3-fluoro-4-methylphenyl)propanoic Acid structure
881189-62-4 structure
Product Name:3-(3-fluoro-4-methylphenyl)propanoic Acid
CAS No:881189-62-4
MF:C10H11FO2
MW:182.191546678543
MDL:MFCD09025364
CID:1917668
PubChem ID:46737500
Update Time:2025-06-08

3-(3-fluoro-4-methylphenyl)propanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3-fluoro-4-methylphenyl)propanoic Acid
    • ANW-55016
    • SureCN310646
    • KB-64225
    • 1,2,4-Oxadiazole,3-(3-fluoro-4-methylphenyl)-
    • AK-78363
    • 3-(3-fluoro-4-methylphenyl)propionaldehyde
    • 3-(3-fluoro-4-methylphenyl)propionic acid
    • CTK8B6946
    • F52900
    • CS-0061173
    • AKOS012535926
    • EN300-240272
    • SCHEMBL585740
    • 881189-62-4
    • JS-4556
    • 3-(3-fluoro-4-methylphenyl)propanoicacid
    • DB-330680
    • MFCD09025364
    • STL302091
    • F9995-1020
    • MDL: MFCD09025364
    • Inchi: 1S/C10H11FO2/c1-7-2-3-8(6-9(7)11)4-5-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
    • InChI Key: DYVQAEHNFXNAEH-UHFFFAOYSA-N
    • SMILES: FC1=C(C)C=CC(=C1)CCC(=O)O

Computed Properties

  • Exact Mass: 182.07430775g/mol
  • Monoisotopic Mass: 182.07430775g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 2.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Melting Point: 95-97℃

3-(3-fluoro-4-methylphenyl)propanoic Acid Pricemore >>

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Additional information on 3-(3-fluoro-4-methylphenyl)propanoic Acid

Comprehensive Overview of 3-(3-fluoro-4-methylphenyl)propanoic Acid (CAS No. 881189-62-4): Properties, Applications, and Industry Insights

3-(3-fluoro-4-methylphenyl)propanoic Acid (CAS No. 881189-62-4) is a fluorinated aromatic carboxylic acid derivative gaining attention in pharmaceutical and agrochemical research. This compound, characterized by its fluoro and methyl substituents on the phenyl ring, exhibits unique physicochemical properties that make it valuable for drug discovery and material science. With the growing demand for fluorinated compounds in medicinal chemistry, this molecule has emerged as a promising building block for bioactive molecules.

The structural features of 3-(3-fluoro-4-methylphenyl)propanoic Acid contribute to its versatility. The carboxylic acid moiety allows for easy derivatization, while the fluoro substituent enhances metabolic stability—a key consideration in modern drug design. Researchers are particularly interested in how this compound compares to similar phenylpropanoic acid derivatives in terms of bioavailability and target binding affinity. Recent studies suggest potential applications in developing non-steroidal anti-inflammatory drugs (NSAIDs) analogs with improved safety profiles.

From a synthetic chemistry perspective, CAS 881189-62-4 represents an important intermediate for constructing more complex molecules. The pharmaceutical industry is exploring its use in proteolysis targeting chimera (PROTAC) development, where its aromatic system serves as an ideal linker component. Additionally, its lipophilicity parameters (calculated logP ≈ 2.5) make it suitable for crossing biological membranes, addressing one of the most searched topics in drug development: improving drug permeability.

Environmental and regulatory considerations surrounding fluorinated compounds have prompted extensive characterization of this material. Unlike some persistent polyfluorinated substances of concern, 3-(3-fluoro-4-methylphenyl)propanoic Acid demonstrates favorable biodegradation profiles in standard OECD tests. This aligns with current industry trends toward green chemistry and sustainable pharmaceutical manufacturing—a hot topic frequently searched in connection with fluorochemicals.

Analytical methods for 881189-62-4 typically employ HPLC-UV or LC-MS techniques, with purity specifications exceeding 98% for research-grade material. The compound's melting point (128-131°C) and solubility profile (soluble in organic solvents like DMSO and ethanol) make it practical for laboratory use. These physicochemical properties are critical for researchers comparing fluorinated vs. non-fluorinated analogs—a common comparison in recent literature.

Emerging applications in material science leverage the compound's aromatic fluorination. Its incorporation into liquid crystal formulations and organic semiconductors is being investigated, particularly for optimizing dielectric properties. This connects to trending searches about fluorine in electronic materials and advanced organic electronics. The methyl group's steric effects additionally provide opportunities for tuning molecular packing in crystalline materials.

Safety evaluations of 3-(3-fluoro-4-methylphenyl)propanoic Acid indicate standard handling precautions for laboratory chemicals. While not classified as hazardous under GHS criteria, proper PPE including gloves and eye protection is recommended—a crucial consideration frequently searched by laboratory personnel working with carboxylic acid compounds. Storage under inert atmosphere at 2-8°C ensures long-term stability.

The commercial availability of CAS 881189-62-4 has expanded significantly since its first reported synthesis. Current market analysis shows growing demand from contract research organizations and academic institutions engaged in fluorine chemistry. Pricing trends reflect the compound's position as a specialty chemical rather than a commodity, with costs influenced by purity grades and batch sizes—information highly sought after in chemical procurement searches.

Future research directions for this compound likely involve exploration of its enantiomeric forms, as chirality becomes increasingly important in pharmaceutical development. The fluoro-methyl substitution pattern presents interesting possibilities for structure-activity relationship studies, particularly in modulating receptor binding kinetics. These aspects align with current industry focus on precision medicine and targeted therapies—dominant themes in recent scientific literature and patent filings.

In summary, 3-(3-fluoro-4-methylphenyl)propanoic Acid represents a versatile fluorinated building block with applications spanning medicinal chemistry to advanced materials. Its balanced lipophilicity, derivatization potential, and favorable safety profile position it as a valuable tool for researchers addressing contemporary challenges in small molecule drug development and functional materials design. As fluorine chemistry continues to evolve, compounds like 881189-62-4 will remain at the forefront of innovation in these fields.

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