Cas no 1261993-14-9 (3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid)

3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular structure incorporating both an ethoxycarbonyl and a carboxylic acid functional group. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a versatile intermediate for constructing more complex molecules. The presence of the fluorine atom enhances its reactivity and selectivity in cross-coupling reactions, while the dual functional groups offer flexibility for further derivatization. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry, particularly in the development of bioactive compounds and advanced materials.
3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid structure
1261993-14-9 structure
Product Name:3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid
CAS No:1261993-14-9
MF:C16H13FO4
MW:288.270428419113
MDL:MFCD18322038
CID:2768119
PubChem ID:53227868
Update Time:2025-10-09

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

Names and Identifiers

    • SCHEMBL3917397
    • 3-(4-ETHOXYCARBONYLPHENYL)-4-FLUOROBENZOIC ACID
    • DTXSID90691401
    • 4'-(Ethoxycarbonyl)-6-fluoro[1,1'-biphenyl]-3-carboxylic acid
    • 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid, 95%
    • MFCD18322038
    • 1261993-14-9
    • 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid
    • MDL: MFCD18322038
    • Inchi: 1S/C16H13FO4/c1-2-21-16(20)11-5-3-10(4-6-11)13-9-12(15(18)19)7-8-14(13)17/h3-9H,2H2,1H3,(H,18,19)
    • InChI Key: GVXSAGHJIPHLSG-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C(=O)O)C=C1C1C=CC(C(=O)OCC)=CC=1

Computed Properties

  • Exact Mass: 288.07978705Da
  • Monoisotopic Mass: 288.07978705Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 376
  • 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: 3.4
  • Topological Polar Surface Area: 63.6?2

3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329313-5 g
3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid, 95%; .
1261993-14-9 95%
5g
€1159.00 2023-04-26
abcr
AB329313-5g
3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid, 95%; .
1261993-14-9 95%
5g
€1159.00 2025-04-21

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

Research Brief on 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid (CAS: 1261993-14-9): Recent Advances and Applications

3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid (CAS: 1261993-14-9) is a fluorinated benzoic acid derivative that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential as a versatile intermediate in drug discovery and development. Recent studies have explored its applications in the synthesis of novel bioactive compounds, particularly in the context of targeted therapies and enzyme inhibition. This research brief aims to summarize the latest findings related to this compound, highlighting its chemical properties, synthetic utility, and biological relevance.

One of the key areas of interest in recent research has been the role of 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid as a building block for the synthesis of small-molecule inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its use in the development of potent inhibitors targeting protein kinases involved in cancer progression. The compound's fluorinated aromatic ring and ethoxycarbonyl group were found to enhance binding affinity and selectivity, making it a promising scaffold for further optimization.

In addition to its applications in oncology, 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid has also been investigated for its potential in antimicrobial drug development. A recent preprint on bioRxiv reported its incorporation into a series of novel antibiotics designed to combat multidrug-resistant bacterial strains. The study highlighted the compound's ability to improve pharmacokinetic properties, such as solubility and metabolic stability, which are critical for oral bioavailability.

From a synthetic chemistry perspective, advancements in the efficient preparation of 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid have been reported. A 2024 paper in Organic Letters described a streamlined, high-yield synthesis route using palladium-catalyzed cross-coupling reactions, which significantly reduced the number of steps and improved overall yield compared to traditional methods. This development is expected to facilitate broader adoption of the compound in medicinal chemistry campaigns.

Ongoing research is also exploring the compound's potential in other therapeutic areas, such as neurodegenerative diseases and inflammation. Preliminary data from a collaborative study between academic and industry researchers suggest that derivatives of 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid may modulate key pathways implicated in Alzheimer's disease, although further validation is required. The compound's unique structural features, including its fluorine atom and carboxylate group, are believed to contribute to its diverse pharmacological activities.

In conclusion, 3-(4-Ethoxycarbonylphenyl)-4-fluorobenzoic acid (CAS: 1261993-14-9) continues to emerge as a valuable tool in chemical biology and drug discovery. Its versatility as a synthetic intermediate, combined with its demonstrated biological activities, positions it as a compound of significant interest for future research. As synthetic methodologies advance and its mechanisms of action are further elucidated, this molecule is likely to play an increasingly important role in the development of next-generation therapeutics.

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