Cas no 1261959-87-8 (2-(4-acetylphenyl)-4-fluorobenzoic Acid)

2-(4-Acetylphenyl)-4-fluorobenzoic acid is a fluorinated aromatic compound featuring both acetyl and carboxylic acid functional groups. Its structure makes it a versatile intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The presence of fluorine enhances metabolic stability and bioavailability, while the acetyl and carboxyl groups offer reactive sites for further derivatization. This compound is valued for its potential use in developing active pharmaceutical ingredients (APIs) and fine chemicals. High purity and consistent quality ensure reliable performance in research and industrial processes. Its well-defined chemical properties facilitate precise modifications, making it a useful building block in medicinal chemistry and material science.
2-(4-acetylphenyl)-4-fluorobenzoic Acid structure
1261959-87-8 structure
Product Name:2-(4-acetylphenyl)-4-fluorobenzoic Acid
CAS No:1261959-87-8
MF:C15H11FO3
MW:258.244447946548
MDL:MFCD18320126
CID:1223289
PubChem ID:53226038
Update Time:2025-05-21

2-(4-acetylphenyl)-4-fluorobenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(4-acetylphenyl)-4-fluorobenzoic Acid
    • MFCD18320126
    • DTXSID20689770
    • 1261959-87-8
    • 2-(4-Acetylphenyl)-4-fluorobenzoic acid, 95%
    • 4'-Acetyl-5-fluoro[1,1'-biphenyl]-2-carboxylic acid
    • SCHEMBL2556102
    • MDL: MFCD18320126
    • Inchi: 1S/C15H11FO3/c1-9(17)10-2-4-11(5-3-10)14-8-12(16)6-7-13(14)15(18)19/h2-8H,1H3,(H,18,19)
    • InChI Key: KDKGVURZTYEUIW-UHFFFAOYSA-N
    • SMILES: FC1C=CC(C(=O)O)=C(C=1)C1C=CC(C(C)=O)=CC=1

Computed Properties

  • Exact Mass: 258.06922237g/mol
  • Monoisotopic Mass: 258.06922237g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • 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

2-(4-acetylphenyl)-4-fluorobenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB327276-5 g
2-(4-Acetylphenyl)-4-fluorobenzoic acid, 95%; .
1261959-87-8 95%
5g
€1159.00 2023-04-26
abcr
AB327276-5g
2-(4-Acetylphenyl)-4-fluorobenzoic acid, 95%; .
1261959-87-8 95%
5g
€1159.00 2025-04-21

Additional information on 2-(4-acetylphenyl)-4-fluorobenzoic Acid

Comprehensive Overview of 2-(4-acetylphenyl)-4-fluorobenzoic Acid (CAS No. 1261959-87-8): Properties, Applications, and Market Insights

2-(4-acetylphenyl)-4-fluorobenzoic Acid (CAS No. 1261959-87-8) is a fluorinated aromatic compound with significant potential in pharmaceutical and material science applications. This white to off-white crystalline powder has gained attention due to its unique structural features, combining a benzoic acid core with both acetyl and fluoro substituents. The compound's molecular formula is C15H11FO3, with a molecular weight of 258.25 g/mol, making it an interesting intermediate for various synthetic pathways.

The growing interest in fluorinated organic compounds has positioned 2-(4-acetylphenyl)-4-fluorobenzoic Acid as a valuable building block in drug discovery. Recent studies highlight how the fluoro substituent enhances metabolic stability and bioavailability, addressing common challenges in medicinal chemistry. Researchers are particularly interested in its potential as a precursor for kinase inhibitors, a hot topic in cancer research and autoimmune disease treatment.

From a synthetic chemistry perspective, the acetylphenyl moiety in 2-(4-acetylphenyl)-4-fluorobenzoic Acid offers versatile reactivity. It can undergo various transformations including condensation reactions, reductions, and nucleophilic additions, making it valuable for creating diverse molecular architectures. The compound's melting point typically ranges between 180-185°C, with good stability under standard storage conditions, though it should be protected from prolonged exposure to light and moisture.

In material science applications, 2-(4-acetylphenyl)-4-fluorobenzoic Acid has shown promise in the development of liquid crystal materials and organic semiconductors. The combination of its rigid aromatic structure and polar functional groups contributes to interesting electronic properties. Recent patents have explored its incorporation into OLED materials, where fluorinated compounds are increasingly important for achieving high-performance displays with improved energy efficiency.

The pharmaceutical industry's focus on targeted therapies has driven demand for specialized intermediates like 2-(4-acetylphenyl)-4-fluorobenzoic Acid. Market analysis shows steady growth in the segment of fluorinated pharmaceutical intermediates, with projections indicating a compound annual growth rate (CAGR) of 6-8% through 2028. This aligns with broader trends in precision medicine and the development of more effective, less toxic therapeutic agents.

Quality control for 2-(4-acetylphenyl)-4-fluorobenzoic Acid typically involves HPLC analysis with purity standards often exceeding 98%. The compound's characterization includes 1H NMR and 13C NMR spectroscopy, with the fluorine atom producing distinctive coupling patterns that aid in structural verification. These analytical aspects are crucial for researchers who frequently search for "how to characterize fluorinated compounds" or "NMR analysis of aromatic fluorides".

Environmental and regulatory considerations for 2-(4-acetylphenyl)-4-fluorobenzoic Acid are increasingly important in chemical development. While not classified as hazardous under current regulations, proper handling procedures should be followed, including the use of personal protective equipment. The compound's environmental fate and biodegradation pathways represent an active area of research, responding to growing concerns about sustainable chemistry practices.

Recent scientific literature highlights innovative applications of 2-(4-acetylphenyl)-4-fluorobenzoic Acid derivatives in proteolysis targeting chimeras (PROTACs), a cutting-edge technology in drug discovery. This connection to targeted protein degradation therapies, one of the most searched topics in pharmaceutical research, enhances the compound's relevance in contemporary medicinal chemistry.

Supply chain dynamics for 2-(4-acetylphenyl)-4-fluorobenzoic Acid reflect broader trends in fine chemicals. Manufacturers are increasingly adopting continuous flow chemistry methods to improve efficiency and reduce waste in its production. These process innovations address common search queries like "green synthesis of fluorinated compounds" and "scaling up specialty chemicals", demonstrating the industry's response to both economic and environmental pressures.

Looking forward, 2-(4-acetylphenyl)-4-fluorobenzoic Acid is poised to maintain its importance as research into fluorine chemistry continues to expand. Its dual functionality as both a hydrogen bond donor (carboxylic acid) and acceptor (carbonyl and fluorine) makes it particularly valuable in molecular design. The compound's future applications may extend into areas like metal-organic frameworks (MOFs) or covalent organic frameworks (COFs), where fluorinated building blocks are gaining attention for creating materials with tailored properties.

For researchers working with 2-(4-acetylphenyl)-4-fluorobenzoic Acid, proper storage conditions are essential to maintain stability. The compound should be kept in a cool, dry place, preferably under inert atmosphere for long-term storage. These practical considerations often appear in searches like "handling sensitive organic compounds" or "best practices for chemical storage", highlighting the need for comprehensive technical information.

In conclusion, 2-(4-acetylphenyl)-4-fluorobenzoic Acid (CAS No. 1261959-87-8) represents a versatile and valuable compound at the intersection of pharmaceutical chemistry and materials science. Its unique structural features and multiple reactive sites ensure continued relevance in research and development across multiple disciplines. As the chemical industry evolves toward more sophisticated and targeted applications, fluorinated intermediates like this will undoubtedly play an increasingly important role in scientific advancement and technological innovation.

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