Cas no 62566-54-5 (Pyridine, 3,5-diethoxy-, 1-oxide)

Pyridine, 3,5-diethoxy-, 1-oxide is a heterocyclic compound featuring a pyridine core substituted with ethoxy groups at the 3 and 5 positions and an N-oxide functional group. This structure imparts unique electronic and steric properties, making it valuable in synthetic chemistry as an intermediate or ligand. The ethoxy groups enhance solubility in organic solvents, while the N-oxide moiety increases reactivity in coordination chemistry and catalytic applications. Its stability under mild conditions and compatibility with diverse reaction environments make it suitable for pharmaceutical and agrochemical synthesis. The compound’s well-defined structure ensures reproducibility in research and industrial processes.
Pyridine, 3,5-diethoxy-, 1-oxide structure
62566-54-5 structure
Product Name:Pyridine, 3,5-diethoxy-, 1-oxide
CAS No:62566-54-5
MF:C9H13NO3
MW:183.204422712326
CID:439968
PubChem ID:544444
Update Time:2025-11-01

Pyridine, 3,5-diethoxy-, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 3,5-diethoxy-, 1-oxide
    • 3,5-diethoxy-1-oxidopyridin-1-ium
    • 3,5-DIETHOXY-PYRIDINE 1-OXIDE
    • 3,5-Diethoxypyridine-1-oxide
    • 3,5-diethoxypyridine N-oxide
    • FT-0614581
    • AKOS006274008
    • DTXSID20337749
    • 3,5-Diethoxypyridine 1-oxide
    • starbld0028355
    • 62566-54-5
    • Inchi: 1S/C9H13NO3/c1-3-12-8-5-9(13-4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
    • InChI Key: AQUNNFJIYGNKAE-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=[N+](C=C(C=1)OCC)[O-]

Computed Properties

  • Exact Mass: 183.08959
  • Monoisotopic Mass: 183.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 129
  • 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: 0.5
  • Topological Polar Surface Area: 43.9?2

Experimental Properties

  • PSA: 45.4

Pyridine, 3,5-diethoxy-, 1-oxide Pricemore >>

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Additional information on Pyridine, 3,5-diethoxy-, 1-oxide

Pyridine, 3,5-diethoxy-, 1-oxide (CAS No. 62566-54-5): A Comprehensive Overview

Pyridine, 3,5-diethoxy-, 1-oxide (CAS No. 62566-54-5) is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, characterized by its 3,5-diethoxy substitution pattern and the presence of a 1-oxide functional group, has garnered considerable attention due to its unique structural and chemical properties. The CAS number 62566-54-5 serves as a unique identifier, facilitating its recognition in scientific literature and industrial applications.

The structural framework of Pyridine, 3,5-diethoxy-, 1-oxide consists of a pyridine core, which is a six-membered aromatic heterocycle containing nitrogen. The 3,5-diethoxy substituents introduce ethoxy groups at the third and fifth positions of the pyridine ring, enhancing its solubility and reactivity in various chemical environments. The 1-oxide group further modifies the compound's electronic properties, making it a versatile intermediate in synthetic chemistry.

In recent years, Pyridine, 3,5-diethoxy-, 1-oxide has been extensively studied for its potential applications in pharmaceuticals and agrochemicals. The substituted pyridine derivatives are known for their role as key intermediates in the synthesis of bioactive molecules. Specifically, the 3,5-diethoxy moiety is particularly interesting because it can be further functionalized to produce more complex structures with desired pharmacological properties.

One of the most compelling aspects of Pyridine, 3,5-diethoxy-, 1-oxide is its utility in the development of pharmaceutical agents. Researchers have leveraged its structural features to design molecules that interact with biological targets such as enzymes and receptors. For instance, the ethoxy groups can serve as pharmacophores that enhance binding affinity and selectivity. This has led to several promising candidates for treating various diseases, including inflammatory disorders and infectious diseases.

The synthetic pathways for Pyridine, 3,5-diethoxy-, 1-oxide involve multi-step organic reactions that highlight the compound's versatility. One common approach involves the oxidation of a diethyl-substituted pyridine precursor followed by nucleophilic substitution to introduce the 1-oxide group. These synthetic strategies are not only efficient but also scalable for industrial production.

Recent advancements in computational chemistry have further enhanced our understanding of Pyridine, 3,5-diethoxy-, 1-oxide's reactivity and interactions. Molecular modeling studies have revealed insights into how the 3,5-diethoxy substituents influence electronic distributions across the molecule. This information is crucial for designing derivatives with improved pharmacokinetic profiles.

In addition to pharmaceutical applications, Pyridine, 3,5-diethoxy-, 1-oxide has shown potential in agrochemical research. The compound's ability to act as an intermediate in synthesizing herbicides and pesticides makes it valuable for developing sustainable agricultural solutions. The 1-oxide group, in particular, contributes to the compound's stability under environmental conditions while maintaining its biological activity.

The analytical characterization of Pyridine, 3,5-diethoxy-, 1-oxide is another area where significant progress has been made. Techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry provide detailed structural information about the compound. These analytical methods are essential for ensuring high purity and consistency in industrial applications.

Future research directions for Pyridine, 3,5-diethoxy-, 1-oxide include exploring its role in drug discovery pipelines. By integrating this compound into novel synthetic frameworks, scientists aim to develop next-generation therapeutics with enhanced efficacy and reduced side effects. Collaborative efforts between academia and industry are expected to accelerate these developments.

The broader impact of Pyridine, 3,5-diethoxy-, 1-oxide on science extends beyond immediate applications. Its study contributes to our fundamental understanding of heterocyclic chemistry and provides insights into molecular design principles that can be applied across various disciplines.

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