Cas no 1240256-80-7 (3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid)

3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid is a fluorinated aromatic carboxylic acid derivative with notable applications in pharmaceutical and agrochemical synthesis. Its key structural features—a fluorine atom and a trifluoromethoxy group—enhance metabolic stability and lipophilicity, making it a valuable intermediate for designing bioactive compounds. The presence of these electron-withdrawing groups also influences reactivity, facilitating selective modifications in synthetic pathways. This compound exhibits high purity and consistent performance, ensuring reliability in research and industrial processes. Its utility in the development of novel active ingredients underscores its importance in medicinal chemistry and crop protection. Proper handling and storage are recommended due to its reactive functional groups.
3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid structure
1240256-80-7 structure
Product Name:3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid
CAS No:1240256-80-7
MF:C10H8F4O3
MW:252.162337303162
CID:3161310
PubChem ID:66523471
Update Time:2025-06-10

3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[4-Fluoro-3-(trifluoromethoxy)phenyl]propionic acid
    • 3-[4-Fluoro-3-(trifluoromethoxy)-phenyl]propionic acid
    • JS-4914
    • D77014
    • CS-0111681
    • AKOS015956947
    • MFCD09999449
    • 3-(4-Fluoro-3-(trifluoromethoxy)phenyl)propanoicacid
    • 3-[4-fluoro-3-(trifluoromethoxy)phenyl]propanoic acid
    • 1240256-80-7
    • 3-(4-Fluoro-3-(trifluoromethoxy)phenyl)propanoic acid
    • 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid
    • MDL: MFCD09999449
    • Inchi: 1S/C10H8F4O3/c11-7-3-1-6(2-4-9(15)16)5-8(7)17-10(12,13)14/h1,3,5H,2,4H2,(H,15,16)
    • InChI Key: RDAQINCBAFDESL-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1OC(F)(F)F)CCC(=O)O

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

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Additional information on 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid

Comprehensive Overview of 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid (CAS No. 1240256-80-7)

The compound 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid (CAS No. 1240256-80-7) is a fluorinated aromatic carboxylic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structural features, including the fluoro and trifluoromethoxy substituents, contribute to its potential applications in drug discovery and material science. Researchers are particularly interested in its role as a building block for synthesizing bioactive molecules, given its ability to modulate lipophilicity and metabolic stability.

In recent years, the demand for fluorinated compounds has surged due to their enhanced bioavailability and resistance to enzymatic degradation. 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid exemplifies this trend, as its trifluoromethoxy group is known to improve membrane permeability and binding affinity in target proteins. This aligns with the growing focus on precision medicine and small-molecule therapeutics, where optimizing pharmacokinetic properties is critical. Searches for terms like "fluorinated drug intermediates" and "trifluoromethoxy applications" reflect the compound's relevance in modern chemistry.

The synthesis of CAS No. 1240256-80-7 typically involves multi-step organic reactions, including halogenation and carboxylation processes. Its phenylpropionic acid backbone is a common scaffold in nonsteroidal anti-inflammatory drugs (NSAIDs), though this derivative's fluoro and trifluoromethoxy modifications open doors to novel applications. For instance, it may serve as a precursor for PET radiotracers or agricultural chemicals, addressing current interests in sustainable farming and medical imaging technologies.

From an industrial perspective, 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid is valued for its versatility. Queries such as "high-value fluorochemicals" and "specialty chemicals for pharmaceuticals" highlight its commercial potential. Regulatory compliance and green chemistry principles are also pivotal, as manufacturers seek eco-friendly synthesis routes. The compound's stability under various pH conditions further enhances its appeal for formulation development and API manufacturing.

In summary, 3-4-Fluoro-3-(trifluoromethoxy)-phenylpropionic acid (CAS No. 1240256-80-7) represents a convergence of innovation and practicality in chemical research. Its structural attributes align with cutting-edge trends like fluorine chemistry and targeted drug delivery, making it a subject of ongoing exploration. As scientific inquiries evolve, this compound is poised to play a pivotal role in advancing both therapeutic and industrial solutions.

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