Cas no 1365272-32-7 (Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate)

Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate is a fluorinated aromatic ester with potential applications in pharmaceutical and agrochemical research. Its structure, featuring two fluorine substituents and a methoxy group, enhances its reactivity and selectivity in synthetic pathways. The compound's stability under various conditions makes it suitable for intermediate use in complex organic syntheses. Its precise functional group arrangement allows for further derivatization, enabling the development of bioactive molecules. The presence of fluorine atoms may improve metabolic stability and binding affinity in drug discovery contexts. This compound is typically handled under controlled conditions due to its specialized nature, ensuring optimal purity and performance in research applications.
Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate structure
1365272-32-7 structure
Product Name:Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate
CAS No:1365272-32-7
MF:C15H12F2O3
MW:278.250791549683
CID:1037680
PubChem ID:70699776
Update Time:2025-06-14

Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3,5'-difluoro-2'-methoxy-[1,1'-biphenyl]-4-carboxylate
    • methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate
    • AK108063
    • ANW-20104
    • CTK8B0537
    • KB-256120
    • BS-20760
    • [1,1'-Biphenyl]-4-carboxylic acid, 3,5'-difluoro-2'-methoxy-, methyl ester
    • 1365272-32-7
    • CS-0211972
    • MFCD21609601
    • DTXSID80742890
    • Methyl3,5'-difluoro-2'-methoxy-[1,1'-biphenyl]-4-carboxylate
    • Methyl 3,5'-difluoro-2'-methoxy[1,1'-biphenyl]-4-carboxylate
    • Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate
    • MDL: MFCD21609601
    • Inchi: 1S/C15H12F2O3/c1-19-14-6-4-10(16)8-12(14)9-3-5-11(13(17)7-9)15(18)20-2/h3-8H,1-2H3
    • InChI Key: IKPFZGSKLLCAEN-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)OC)C=CC(=C1)C1C=C(C=CC=1OC)F

Computed Properties

  • Exact Mass: 278.07545056g/mol
  • Monoisotopic Mass: 278.07545056g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 337
  • 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: 3.6
  • Topological Polar Surface Area: 35.5?2

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Additional information on Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate

Research Briefing on Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate (CAS: 1365272-32-7)

Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate (CAS: 1365272-32-7) has emerged as a compound of significant interest in the field of chemical biology and pharmaceutical research. This ester derivative, characterized by its unique fluorinated aromatic structure, has been the subject of recent investigations due to its potential applications in drug discovery and development. The compound's structural features, including the presence of two fluorine atoms and a methoxy group, suggest possible interactions with biological targets, making it a promising candidate for further study.

Recent studies have focused on the synthesis and characterization of Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate, with particular attention to its physicochemical properties and reactivity. Researchers have employed advanced spectroscopic techniques, such as NMR and mass spectrometry, to confirm the compound's structure and purity. These efforts are critical for ensuring the reliability of subsequent biological evaluations and for establishing a foundation for potential scale-up processes in pharmaceutical manufacturing.

In the context of drug discovery, Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate has been explored as a building block for the development of novel therapeutic agents. Its fluorinated aromatic core is of particular interest, as fluorine substitution is known to influence the pharmacokinetic and pharmacodynamic properties of drug molecules. Recent in vitro studies have investigated the compound's potential as a precursor for kinase inhibitors, with preliminary results indicating moderate activity against selected kinase targets. However, further optimization and structure-activity relationship studies are needed to enhance its potency and selectivity.

The metabolic stability and toxicity profile of Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate have also been subjects of recent research. Early-stage ADME (Absorption, Distribution, Metabolism, and Excretion) studies suggest that the compound exhibits reasonable metabolic stability in liver microsome assays, though its bioavailability and tissue distribution characteristics require further investigation. These findings are crucial for assessing the compound's potential as a drug candidate and for guiding future medicinal chemistry efforts.

From a synthetic chemistry perspective, novel routes for the preparation of Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate have been reported, with emphasis on improving yield and scalability. Recent publications describe optimized coupling reactions and purification methods that address previous challenges in the compound's synthesis. These advancements are particularly valuable for enabling larger-scale production, which would support more extensive biological testing and potential preclinical development.

Looking forward, research on Methyl 2-fluoro-4-(5-fluoro-2-methoxyphenyl)benzoate is expected to focus on expanding its applications in medicinal chemistry and exploring its potential as a versatile intermediate for diverse therapeutic compounds. The compound's unique structural features position it as an interesting case study in fluorinated drug design, with implications for understanding how specific substitutions influence biological activity. Continued investigation of this molecule may yield valuable insights for the development of new pharmaceutical agents targeting various disease pathways.

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