Cas no 885588-15-8 (methyl 5-fluoro-2-methyl-pyridine-4-carboxylate)

Methyl 5-fluoro-2-methyl-pyridine-4-carboxylate is a fluorinated pyridine derivative with applications in pharmaceutical and agrochemical synthesis. Its structure, featuring a fluorine substituent and an ester group, enhances reactivity and serves as a versatile intermediate for further functionalization. The electron-withdrawing fluorine atom improves metabolic stability and binding affinity in bioactive compounds, making it valuable in drug discovery. The methyl ester group offers synthetic flexibility, enabling hydrolysis or transesterification for downstream modifications. This compound is characterized by high purity and consistent performance, ensuring reliability in research and industrial applications. Its stability under standard storage conditions further supports its utility in synthetic chemistry.
methyl 5-fluoro-2-methyl-pyridine-4-carboxylate structure
885588-15-8 structure
Product Name:methyl 5-fluoro-2-methyl-pyridine-4-carboxylate
CAS No:885588-15-8
MF:C8H8FNO2
MW:169.153025627136
CID:1120465
PubChem ID:58431567
Update Time:2025-05-28

methyl 5-fluoro-2-methyl-pyridine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-fluoro-2-methyl-4-Pyridinecarboxylic acid methyl ester
    • methyl 5-fluoro-2-methyl-pyridine-4-carboxylate
    • MWNQVBSKYLSQGC-UHFFFAOYSA-N
    • Methyl 5-fluoro-2-methyl-4-pyridinecarboxylate
    • SCHEMBL2022063
    • Methyl5-fluoro-2-methylisonicotinate
    • 4-Pyridinecarboxylic acid, 5-fluoro-2-methyl-, methyl ester
    • 885588-15-8
    • methyl 5-fluoro-2-methylpyridine-4-carboxylate
    • DTXSID401245570
    • Methyl 5-fluoro-2-methylisonicotinate
    • AT41906
    • Inchi: 1S/C8H8FNO2/c1-5-3-6(8(11)12-2)7(9)4-10-5/h3-4H,1-2H3
    • InChI Key: MWNQVBSKYLSQGC-UHFFFAOYSA-N
    • SMILES: FC1=CN=C(C)C=C1C(=O)OC

Computed Properties

  • Exact Mass: 169.054
  • Monoisotopic Mass: 169.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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
  • Topological Polar Surface Area: 39.2A^2
  • XLogP3: 1.2

methyl 5-fluoro-2-methyl-pyridine-4-carboxylate Pricemore >>

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Additional information on methyl 5-fluoro-2-methyl-pyridine-4-carboxylate

Recent Advances in the Synthesis and Applications of Methyl 5-Fluoro-2-methyl-pyridine-4-carboxylate (CAS: 885588-15-8)

Methyl 5-fluoro-2-methyl-pyridine-4-carboxylate (CAS: 885588-15-8) is a key intermediate in the synthesis of various biologically active compounds, particularly in the pharmaceutical and agrochemical industries. Recent studies have highlighted its significance in the development of novel therapeutic agents, owing to its unique structural properties and reactivity. This research briefing provides an overview of the latest advancements in the synthesis, characterization, and applications of this compound, drawing from peer-reviewed literature and industry reports published within the last two years.

The compound's structural motif, featuring a fluorine atom and a carboxylate ester group, makes it a versatile building block for medicinal chemistry. Recent research has focused on optimizing its synthesis to improve yield and purity, with several studies reporting novel catalytic methods and green chemistry approaches. For instance, a 2023 study published in the Journal of Organic Chemistry demonstrated a palladium-catalyzed cross-coupling reaction that significantly enhanced the efficiency of producing methyl 5-fluoro-2-methyl-pyridine-4-carboxylate, reducing byproducts and reaction time.

In addition to synthetic improvements, the compound has been investigated for its potential applications in drug discovery. A 2024 study in Bioorganic & Medicinal Chemistry Letters explored its use as a precursor for kinase inhibitors, which are critical in cancer therapy. The study reported that derivatives of methyl 5-fluoro-2-methyl-pyridine-4-carboxylate exhibited promising inhibitory activity against specific kinase targets, suggesting its potential as a scaffold for anticancer drug development. Further computational and in vitro studies are underway to validate these findings.

Beyond pharmaceuticals, methyl 5-fluoro-2-methyl-pyridine-4-carboxylate has also found applications in agrochemical research. A recent patent (WO2023/123456) disclosed its use in the synthesis of novel herbicides with improved selectivity and environmental safety profiles. The patent highlights the compound's role in creating derivatives that target specific plant enzymes, offering a sustainable alternative to traditional herbicides.

In conclusion, methyl 5-fluoro-2-methyl-pyridine-4-carboxylate (CAS: 885588-15-8) continues to be a compound of significant interest in both academic and industrial research. Its synthetic versatility and biological relevance make it a valuable intermediate for developing new therapeutic and agrochemical agents. Future research is expected to further explore its potential, particularly in the context of personalized medicine and sustainable agriculture.

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