Cas no 1262005-90-2 (4-(4-Acetylphenyl)-3-fluorobenzoic acid)

4-(4-Acetylphenyl)-3-fluorobenzoic acid is a fluorinated aromatic compound featuring both acetyl and carboxylic acid functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its structural properties enable selective modifications, particularly in the development of bioactive molecules and advanced materials. The fluorine substitution enhances electronic effects, potentially improving binding affinity in drug design. The acetyl and carboxyl groups offer reactive sites for further derivatization, such as condensation or coupling reactions. This compound is valued for its purity and stability, ensuring reliable performance in synthetic applications. Its well-defined structure makes it suitable for use in medicinal chemistry, material science, and as a building block for complex organic frameworks.
4-(4-Acetylphenyl)-3-fluorobenzoic acid structure
1262005-90-2 structure
Product Name:4-(4-Acetylphenyl)-3-fluorobenzoic acid
CAS No:1262005-90-2
MF:C15H11FO3
MW:258.244447946548
MDL:MFCD18320129
CID:1024657
PubChem ID:53226041
Update Time:2025-10-28

4-(4-Acetylphenyl)-3-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylic acid
    • 4-(4-acetylphenyl)-3-fluorobenzoic acid
    • AKOS015888579
    • BS-20404
    • MFCD18320129
    • 4'-Acetyl-2-fluoro[1,1'-biphenyl]-4-carboxylic acid
    • CS-0209246
    • [1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-2-fluoro-
    • A889500
    • 4'-Acetyl-2-fluoro-[1,1'-biphenyl]-4-carboxylicacid
    • 1262005-90-2
    • DTXSID00689773
    • SCHEMBL2559215
    • 4-(4-Acetylphenyl)-3-fluorobenzoic acid
    • MDL: MFCD18320129
    • Inchi: 1S/C15H11FO3/c1-9(17)10-2-4-11(5-3-10)13-7-6-12(15(18)19)8-14(13)16/h2-8H,1H3,(H,18,19)
    • InChI Key: HAMFTJLXJVMHJX-UHFFFAOYSA-N
    • SMILES: FC1C=C(C(=O)O)C=CC=1C1C=CC(C(C)=O)=CC=1

Computed Properties

  • Exact Mass: 258.06900
  • Monoisotopic Mass: 258.06922237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 347
  • 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: 2.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 419.6±35.0 °C at 760 mmHg
  • Flash Point: 207.6±25.9 °C
  • PSA: 54.37000
  • LogP: 3.39350
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

4-(4-Acetylphenyl)-3-fluorobenzoic acid Security Information

4-(4-Acetylphenyl)-3-fluorobenzoic 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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Additional information on 4-(4-Acetylphenyl)-3-fluorobenzoic acid

4-(4-Acetylphenyl)-3-fluorobenzoic Acid: A Comprehensive Overview

4-(4-Acetylphenyl)-3-fluorobenzoic acid, identified by the CAS number 1262005-90-2, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, characterized by its unique structure, has garnered attention due to its potential applications in drug discovery and material science. Recent studies have shed light on its synthesis, properties, and biological activities, making it a focal point for researchers worldwide.

The molecular structure of 4-(4-Acetylphenyl)-3-fluorobenzoic acid comprises a benzoic acid moiety substituted with a fluorine atom at the 3-position and an acetylphenyl group at the 4-position. This arrangement imparts distinct electronic and steric properties to the molecule, influencing its reactivity and biological interactions. The presence of the acetyl group introduces electron-donating effects, while the fluorine atom contributes to both electron-withdrawing effects and increased lipophilicity. These characteristics make the compound a promising candidate for various chemical transformations and bioassays.

Recent advancements in synthetic methodologies have enabled efficient routes to prepare 4-(4-Acetylphenyl)-3-fluorobenzoic acid. Researchers have explored both traditional organic synthesis techniques and modern catalytic processes to optimize yield and purity. For instance, coupling reactions using palladium catalysts have been employed to construct the biaryl linkage between the benzoic acid and acetylphenyl groups. Additionally, fluorination strategies, including electrophilic substitution and nucleophilic aromatic substitution, have been refined to achieve precise control over the fluorine substitution pattern.

The biological activity of 4-(4-Acetylphenyl)-3-fluorobenzoic acid has been extensively investigated in recent studies. Preclinical data suggest that this compound exhibits potent anti-inflammatory and antioxidant properties, making it a potential candidate for treating conditions such as neurodegenerative diseases and cardiovascular disorders. Furthermore, its ability to modulate key signaling pathways involved in cancer progression has been highlighted in several research articles. For example, studies have demonstrated that this compound can inhibit the activity of certain kinases associated with tumor growth and metastasis.

In terms of applications, 4-(4-Acetylphenyl)-3-fluorobenzoic acid holds promise in the development of novel therapeutic agents. Its unique combination of chemical stability and bioactivity positions it as a valuable lead compound in drug discovery programs. Moreover, its structural versatility allows for further modification to enhance pharmacokinetic properties such as solubility and bioavailability.

From an environmental perspective, understanding the ecotoxicological profile of 4-(4-Acetylphenyl)-3-fluorobenzoic acid is crucial for ensuring sustainable practices in its production and use. Recent eco-friendly synthesis approaches, including green chemistry principles, have been implemented to minimize waste generation and reduce energy consumption during manufacturing processes.

In conclusion, 4-(4-Acetylphenyl)-3-fluorobenzoic acid, with its CAS number 1262005-90-2, represents a significant advancement in chemical innovation. Its diverse applications across multiple disciplines underscore its importance as a research subject for both academic and industrial settings. As ongoing studies continue to unravel its full potential, this compound is poised to play a pivotal role in shaping future developments in medicine and materials science.

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