Cas no 68415-18-9 (4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid)

4-(4-Fluorophenyl)-2-methyl-4-oxobutanoic acid is a fluorinated organic compound featuring a ketone and carboxylic acid functional group, making it a versatile intermediate in synthetic chemistry. Its structural motif, incorporating a fluorophenyl group, enhances its utility in pharmaceutical and agrochemical applications, where fluorine substitution often improves bioavailability and metabolic stability. The compound's reactivity allows for further derivatization, enabling the synthesis of more complex molecules. Its crystalline form ensures consistent purity, facilitating precise use in research and industrial processes. This compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and fine chemicals, where high selectivity and functional group compatibility are required.
4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid structure
68415-18-9 structure
Product Name:4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid
CAS No:68415-18-9
MF:C11H11FO3
MW:210.201647043228
CID:519777
PubChem ID:345402
Update Time:2025-10-31

4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzenebutanoic acid,4-fluoro-a-methyl-g-oxo-
    • 2-METHYL-4-OXO-4-(4'-FLUOROPHENYL)BUTYRIC ACID
    • 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic acid
    • 3-(4-fluorobenzoyl)-2-methylpropionic acid
    • 4-(4-fluorophenyl)-2-methyl-4-oxidanylidene-butanoic acid
    • A836138
    • AC1L82OY
    • FT-0641185
    • NSC403028
    • SureCN4686815
    • Z838957184
    • 68415-18-9
    • DTXSID70323091
    • 4-(4-fluorophenyl)-2-methyl-4-oxobutanoicacid
    • EN300-331492
    • NSC-403028
    • CS-0246481
    • MFCD04972257
    • SCHEMBL4686815
    • 4-(4-fluorophenyl)-2-methyl-4-oxo-butanoic acid
    • AKOS010910410
    • 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid
    • Inchi： 1S/C11H11FO3/c1-7(11(14)15)6-10(13)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
    • InChI Key： LDFOTDZVZJTBRL-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=CC=1)C(CC(C(=O)O)C)=O

Computed Properties

  • Exact Mass: 210.06900
  • Monoisotopic Mass: 210.06922237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37000
  • LogP: 2.11920

4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid Customs Data

  • HS CODE：2918300090
  • Customs Data：

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid Pricemore >>

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4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid Related Literature

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Additional information on 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid

Comprehensive Overview of 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid (CAS No. 68415-18-9): Properties, Applications, and Research Insights

4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid (CAS No. 68415-18-9) is a fluorinated organic compound with a unique molecular structure that combines a fluorophenyl group with a methyl-oxobutanoic acid backbone. This compound has garnered significant attention in pharmaceutical and biochemical research due to its potential as a building block for drug synthesis and its role in studying enzyme inhibition mechanisms. Researchers are particularly interested in its metabolic pathways and bioactivity, which align with current trends in precision medicine and targeted therapy development.

The compound’s chemical properties, such as its solubility in polar solvents and stability under physiological conditions, make it a versatile candidate for drug formulation. Recent studies highlight its relevance in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs) and central nervous system (CNS) agents, addressing growing demand for treatments related to chronic pain and neurodegenerative diseases. These applications resonate with popular search queries like "fluorinated drug intermediates" and "innovative pharmaceutical precursors," reflecting industry interest in sustainable and efficient synthesis methods.

From an analytical chemistry perspective, 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid is often characterized using techniques like HPLC, NMR spectroscopy, and mass spectrometry. These methods are frequently searched by professionals seeking quality control protocols or structural elucidation workflows. The compound’s chromatographic behavior and spectral signatures are well-documented, aiding in its identification and purity assessment—a critical factor for compliance with Good Manufacturing Practices (GMP).

Environmental and green chemistry considerations are also pivotal in discussions about this compound. With increasing searches for eco-friendly synthesis routes and biodegradable intermediates, researchers are exploring catalytic methods to reduce waste generation during its production. This aligns with global initiatives like the UN Sustainable Development Goals (SDGs), particularly Goal 12 (Responsible Consumption and Production).

In summary, 4-(4-fluorophenyl)-2-methyl-4-oxobutanoic Acid (CAS No. 68415-18-9) exemplifies the intersection of medicinal chemistry, process optimization, and sustainability. Its multifaceted applications and alignment with trending topics in science ensure its continued relevance in both academic and industrial settings.

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