Cas no 110931-77-6 (4-(2,4-Difluorophenyl)-4-oxobutanoic acid)

4-(2,4-Difluorophenyl)-4-oxobutanoic acid is a fluorinated aromatic ketone derivative with a carboxylic acid functional group, making it a versatile intermediate in organic synthesis. Its structure, featuring both a difluorophenyl moiety and a reactive oxobutanoic acid chain, enables applications in pharmaceutical and agrochemical research, particularly in the development of bioactive molecules. The presence of fluorine atoms enhances metabolic stability and binding affinity, while the carboxylic acid group allows for further derivatization. This compound is valued for its purity, consistent performance, and utility in constructing complex molecular frameworks. Its well-defined chemical properties ensure reproducibility in synthetic pathways.
4-(2,4-Difluorophenyl)-4-oxobutanoic acid structure
110931-77-6 structure
Product Name:4-(2,4-Difluorophenyl)-4-oxobutanoic acid
CAS No:110931-77-6
MF:C10H8F2O3
MW:214.165530204773
MDL:MFCD00143016
CID:62848
PubChem ID:253661887
Update Time:2025-11-02

4-(2,4-Difluorophenyl)-4-oxobutanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2,4-Difluorophenyl)-4-oxobutanoic acid
    • 3-(2,4-Difluorobenzoyl)propionic acid
    • 4-(2,4-Difluorophenyl)-4-oxobutyric acid
    • 4-(2,4-Difluorophenyl)
    • 3-(2,4-Difluorobenzoyl)propanoic acid
    • 3-(2',4'-DIFLUOROBENZOYL)PROPIONIC ACID
    • 2,4-Difluoro-γ-oxo-benzenebutanoic Acid
    • Benzenebutanoic acid,2,4-difluoro-g-oxo-
    • PubChem13272
    • 4-(2,4-difluorophenyl)-4-oxobutanoicacid
    • 4-(2,4-difluorophenyl)-4-oxo-butanoic Acid
    • OKYUHFSCTFNDFB-UHFFFAOYSA-N
    • SBB065140
    • AB3648
    • 3-(2,4-Difluo
    • 3-(2,4-Difluorobenzoyl)propionicAcid
    • NE11292
    • AS-
    • Posaconazole Impurity 26
    • 4-(2,4-Difluorophenyl)-4-oxobutanoic acid 97%
    • MFCD00143016
    • A802269
    • Benzenebutanoic acid, 2,4-difluoro-gamma-oxo-
    • D4585
    • 4-(2,4-difluorophenyl);-4-oxobutanoic acid
    • SY050851
    • DTXSID00378877
    • 110931-77-6
    • AKOS000156915
    • SCHEMBL3527017
    • EN300-50232
    • FT-0657787
    • SUE9RZ747H
    • AS-65009
    • 4-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-butanoic acid
    • 2,4-Difluoro-gamma-oxobenzenebutanoic acid
    • 3-(PERFLUOROOCTYL)-2-HYDROXYPROPYLACRYLATE
    • CS-0130721
    • Z285137144
    • 98.0%(GC)(T)
    • DB-028590
    • MDL: MFCD00143016
    • Inchi: 1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)
    • InChI Key: OKYUHFSCTFNDFB-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C(CCC(=O)O)=O)F

Computed Properties

  • Exact Mass: 214.04400
  • Monoisotopic Mass: 214.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 255
  • 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: 54.4
  • XLogP3: 1.2

Experimental Properties

  • Density: 1.363
  • Melting Point: 115.0 to 119.0 deg-C
  • Boiling Point: 366.7°Cat760mmHg
  • Flash Point: 175.6°C
  • Refractive Index: 1.511
  • PSA: 54.37000
  • LogP: 2.01230

4-(2,4-Difluorophenyl)-4-oxobutanoic acid Security Information

4-(2,4-Difluorophenyl)-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%

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4-(2,4-Difluorophenyl)-4-oxobutanoic acid Production Method

4-(2,4-Difluorophenyl)-4-oxobutanoic acid Related Literature

Additional information on 4-(2,4-Difluorophenyl)-4-oxobutanoic acid

4-(2,4-Difluorophenyl)-4-oxobutanoic Acid (CAS 110931-77-6): Properties, Applications, and Market Insights

4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS 110931-77-6) is a fluorinated organic compound with significant potential in pharmaceutical and chemical research. This compound, characterized by its difluorophenyl and oxobutanoic acid functional groups, has garnered attention due to its unique chemical properties and versatility in synthetic applications. Researchers and industry professionals are increasingly exploring its role in drug development and specialty chemicals, making it a topic of interest in modern chemistry.

The molecular structure of 4-(2,4-Difluorophenyl)-4-oxobutanoic acid features a 2,4-difluorophenyl ring attached to a 4-oxobutanoic acid moiety. This combination imparts distinct electronic and steric properties, which are crucial for its reactivity and interactions in chemical reactions. The presence of fluorine atoms enhances the compound's stability and bioavailability, making it valuable for medicinal chemistry applications. Recent studies highlight its potential as a building block for fluorinated pharmaceuticals, a growing segment in the drug discovery landscape.

One of the most compelling applications of CAS 110931-77-6 is in the synthesis of bioactive molecules. The compound serves as an intermediate in the production of fluorinated drug candidates, particularly those targeting metabolic and inflammatory pathways. Its oxobutanoic acid group allows for further functionalization, enabling chemists to create derivatives with tailored properties. This adaptability aligns with current trends in precision medicine and targeted therapy, where fluorinated compounds play a pivotal role due to their enhanced pharmacokinetic profiles.

From an industrial perspective, the demand for 4-(2,4-Difluorophenyl)-4-oxobutanoic acid is driven by its utility in high-value chemical synthesis. Manufacturers and suppliers are focusing on scalable production methods to meet the needs of pharmaceutical and agrochemical industries. The compound's compatibility with modern green chemistry principles, such as reduced waste and energy-efficient processes, further enhances its appeal. As sustainability becomes a priority, fluorinated intermediates like this are gaining traction in eco-friendly manufacturing protocols.

In the context of market dynamics, CAS 110931-77-6 is part of a broader trend toward fluorinated compounds in life sciences. Analysts note increased investment in fluorine chemistry, driven by the success of fluorinated drugs in treating chronic diseases. The compound's niche applications in material science, such as polymer modification and surface coatings, also contribute to its growing commercial relevance. Suppliers are expanding their portfolios to include such specialized chemicals, catering to diverse research and industrial needs.

For researchers working with 4-(2,4-Difluorophenyl)-4-oxobutanoic acid, handling and storage recommendations emphasize its stability under controlled conditions. While not classified as hazardous, proper laboratory practices should be followed to ensure safety and integrity. The compound is typically supplied as a crystalline solid, soluble in common organic solvents, which facilitates its use in various experimental setups. Recent advancements in analytical techniques, such as HPLC and NMR, have improved the characterization and quality control of this material.

Looking ahead, the scientific community anticipates expanded applications for CAS 110931-77-6 in emerging fields like bioconjugation and proteolysis-targeting chimeras (PROTACs). Its structural features make it a candidate for designing bifunctional molecules, a hot topic in drug discovery. Additionally, the rise of AI-driven molecular design has increased interest in fluorinated building blocks, as computational tools predict their utility in novel therapeutic agents. This intersection of chemistry and technology positions 4-(2,4-Difluorophenyl)-4-oxobutanoic acid as a compound to watch in coming years.

In summary, 4-(2,4-Difluorophenyl)-4-oxobutanoic acid (CAS 110931-77-6) represents a versatile and valuable chemical entity with broad applications in pharmaceuticals and beyond. Its unique difluorophenyl and oxobutanoic acid structure, combined with industry trends toward fluorination and sustainability, ensure its continued relevance. Researchers and manufacturers alike will find opportunities to leverage this compound in innovative ways, contributing to advancements in health and material sciences.

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