Cas no 1261894-17-0 (Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate)

Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate is a fluorinated aromatic ester compound characterized by its distinct substitution pattern, featuring both fluorine and hydroxyl functional groups. This structure enhances its utility as an intermediate in pharmaceutical and agrochemical synthesis, where selective fluorination often improves bioavailability and metabolic stability. The presence of the methyl ester group provides a reactive site for further derivatization, while the hydroxyl group allows for additional functionalization or conjugation. Its well-defined molecular architecture makes it valuable for research in medicinal chemistry, particularly in the development of fluorinated bioactive molecules. The compound's purity and stability under standard conditions ensure consistent performance in synthetic applications.
Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate structure
1261894-17-0 structure
Product Name:Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate
CAS No:1261894-17-0
MF:C14H10F2O3
MW:264.224211215973
MDL:MFCD18313977
CID:1219093
PubChem ID:53219654
Update Time:2025-10-29

Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate
    • 2-Fluoro-4-(3-fluoro-4-methoxycarbonylphenyl)phenol, 95%
    • SCHEMBL16609019
    • DTXSID30684478
    • Methyl 3,3'-difluoro-4'-hydroxy[1,1'-biphenyl]-4-carboxylate
    • 1261894-17-0
    • 2-FLUORO-4-(3-FLUORO-4-METHOXYCARBONYLPHENYL)PHENOL
    • MFCD18313977
    • MDL: MFCD18313977
    • Inchi: 1S/C14H10F2O3/c1-19-14(18)10-4-2-8(6-11(10)15)9-3-5-13(17)12(16)7-9/h2-7,17H,1H3
    • InChI Key: ONICOGQGHSRQRH-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)OC)C=CC(=C1)C1C=CC(=C(C=1)F)O

Computed Properties

  • Exact Mass: 264.05980050g/mol
  • Monoisotopic Mass: 264.05980050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 324
  • 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: 3.2
  • Topological Polar Surface Area: 46.5?2

Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB320014-5 g
2-Fluoro-4-(3-fluoro-4-methoxycarbonylphenyl)phenol, 95%; .
1261894-17-0 95%
5 g
€1,159.00 2023-07-19
abcr
AB320014-5g
2-Fluoro-4-(3-fluoro-4-methoxycarbonylphenyl)phenol, 95%; .
1261894-17-0 95%
5g
€1159.00 2025-02-18

Additional information on Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate

Methyl 2-Fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate (CAS No. 1261894-17-0): A Comprehensive Overview

Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate (CAS No. 1261894-17-0) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural and chemical properties, has been the subject of extensive studies due to its potential applications in drug development and therapeutic interventions.

The molecular structure of Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate consists of a benzoate core substituted with fluorine and hydroxyl groups at specific positions. This arrangement imparts distinct electronic and steric properties to the molecule, making it a promising candidate for various biological and chemical interactions. The presence of both fluoro and hydroxy functional groups enhances its reactivity and binding affinity, which are crucial factors in the design of novel therapeutic agents.

In recent years, the pharmaceutical industry has witnessed a surge in the exploration of fluorinated compounds due to their enhanced metabolic stability, bioavailability, and binding affinity to biological targets. The incorporation of fluorine atoms into molecular structures often leads to improved pharmacokinetic profiles, making such compounds more effective in clinical settings. Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate, with its dual fluorine and hydroxyl substituents, exemplifies this trend and represents a significant advancement in the quest for innovative drug candidates.

One of the most compelling aspects of Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate is its potential role in addressing various therapeutic challenges. Researchers have been particularly interested in its interactions with enzymes and receptors involved in critical biological pathways. For instance, studies have suggested that this compound may exhibit inhibitory effects on certain enzymes implicated in inflammation and oxidative stress, which are key factors in conditions such as arthritis and neurodegenerative diseases.

The synthesis of Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and fluorination techniques, have been employed to achieve the desired molecular structure efficiently. These synthetic strategies not only highlight the compound's complexity but also underscore the advancements in synthetic organic chemistry that enable the production of such intricate molecules.

The pharmacological properties of Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate have been investigated through both in vitro and in vivo studies. Preliminary findings indicate that this compound demonstrates notable activity against several disease models, including cancer cell lines and inflammatory conditions. The exact mechanisms by which it exerts its effects are still under investigation, but preliminary data suggest that its interaction with biological targets may involve modulation of signaling pathways associated with cell proliferation, survival, and apoptosis.

In the realm of drug discovery, computational modeling has played an increasingly important role in predicting the biological activity of novel compounds like Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate. By leveraging advanced computational techniques such as molecular docking and virtual screening, researchers can rapidly assess the potential interactions between this compound and various biological targets. These computational approaches not only accelerate the drug discovery process but also provide valuable insights into the structural features that contribute to its pharmacological effects.

The future prospects for Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate are promising, with ongoing research aimed at optimizing its pharmacological profile and exploring new therapeutic applications. Collaborative efforts between academic institutions, pharmaceutical companies, and biotechnology firms are essential to translate these findings into tangible clinical benefits for patients worldwide. As our understanding of complex biological systems continues to evolve, compounds like this will undoubtedly play a pivotal role in shaping the future of medicine.

In conclusion, Methyl 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoate (CAS No. 1261894-17-0) represents a significant advancement in pharmaceutical chemistry with its unique structural features and promising biological activities. The ongoing research into this compound not only highlights the importance of fluorinated molecules in drug development but also underscores the interdisciplinary nature of modern medicinal research. As we continue to uncover new insights into its pharmacological properties, it is clear that this compound holds great potential for addressing some of the most pressing health challenges faced by society today.

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