Cas no 1261828-37-8 (3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid)

3-Fluoro-5-(trifluoromethoxy)phenylpropionic acid is a fluorinated aromatic carboxylic acid derivative characterized by its unique structural features, including a fluorine substituent and a trifluoromethoxy group on the phenyl ring. These functional groups enhance its reactivity and stability, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The compound’s electron-withdrawing properties facilitate selective transformations, such as coupling reactions or further derivatization. Its high purity and well-defined structure ensure consistent performance in research and industrial applications. The trifluoromethoxy group, in particular, contributes to improved metabolic stability and lipophilicity, making it useful in the design of bioactive molecules. Suitable for controlled environments, it requires proper handling due to its reactive nature.
3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid structure
1261828-37-8 structure
Product Name:3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid
CAS No:1261828-37-8
MF:C10H8F4O3
MW:252.162337303162
MDL:MFCD18397098
CID:3161309
PubChem ID:66523563
Update Time:2025-10-28

3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[3-Fluoro-5-(trifluoromethoxy)phenyl]propionic acid
    • 3-[3-Fluoro-5-(trifluoromethoxy)-phenyl]propionic acid
    • 1261828-37-8
    • 3-(3-Fluoro-5-(trifluoromethoxy)phenyl)propanoic acid
    • 3-[3-fluoro-5-(trifluoromethoxy)phenyl]propanoic acid
    • MFCD18397098
    • AKOS015957160
    • CS-0321084
    • JS-4937
    • 3-(3-Fluoro-5-(trifluoromethoxy)phenyl)propanoicacid
    • 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid
    • MDL: MFCD18397098
    • Inchi: 1S/C10H8F4O3/c11-7-3-6(1-2-9(15)16)4-8(5-7)17-10(12,13)14/h3-5H,1-2H2,(H,15,16)
    • InChI Key: OXUSROHJYYUZSB-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)CCC(=O)O)OC(F)(F)F

Computed Properties

  • Exact Mass: 252.04095676Da
  • Monoisotopic Mass: 252.04095676Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 267
  • 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
  • Topological Polar Surface Area: 46.5?2

3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid Pricemore >>

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Additional information on 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid

Recent Advances in the Study of 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid (CAS: 1261828-37-8)

The compound 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid (CAS: 1261828-37-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This fluorinated aromatic carboxylic acid derivative is being explored for its potential applications in drug discovery, particularly as a building block for novel therapeutic agents. Recent studies have focused on its unique physicochemical properties, synthetic accessibility, and biological activity profiles, making it a promising candidate for further investigation.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid as a key intermediate in the synthesis of potent G protein-coupled receptor (GPCR) modulators. The researchers highlighted how the compound's trifluoromethoxy and fluorine substituents contribute to enhanced metabolic stability and improved membrane permeability of resulting drug candidates. These findings suggest potential applications in central nervous system (CNS) drug development where such properties are particularly valuable.

Structural activity relationship (SAR) studies involving this compound have revealed interesting insights into the role of fluorine substitution patterns in biological activity. Research teams at several pharmaceutical companies have incorporated 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid into their lead optimization programs, reporting improved pharmacokinetic profiles in preclinical models. The compound's ability to serve as a bioisostere for various pharmacophores has expanded its utility across multiple therapeutic areas.

Recent synthetic chemistry advances have also improved the production scalability of 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid. A 2024 paper in Organic Process Research & Development described an optimized manufacturing route that significantly reduces production costs while maintaining high purity standards. This development is particularly important as demand for this building block increases in both academic and industrial research settings.

Emerging applications in radiopharmaceutical development have also been reported, where the fluorine-18 labeled version of this compound is being evaluated as a potential positron emission tomography (PET) tracer. Preliminary studies suggest good brain penetration and suitable pharmacokinetics for imaging applications, opening new avenues for diagnostic agent development.

As research continues, 3-3-Fluoro-5-(trifluoromethoxy)-phenylpropionic acid demonstrates growing importance in medicinal chemistry. Its versatility as a synthetic intermediate combined with favorable physicochemical properties positions it as a valuable tool for drug discovery programs targeting various disease areas, including neurological disorders, inflammatory conditions, and metabolic diseases.

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