Cas no 721430-01-9 (2-Ethoxy-5-(methylsulfonyl)pyridine)

2-Ethoxy-5-(methylsulfonyl)pyridine is a pyridine derivative characterized by its ethoxy and methylsulfonyl functional groups, which impart distinct reactivity and solubility properties. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its electron-withdrawing sulfonyl group enhances electrophilic substitution reactions, while the ethoxy substituent contributes to its stability and solubility in organic solvents. The compound’s well-defined structure and functional groups make it a valuable building block for constructing complex heterocyclic systems. It is typically handled under standard laboratory conditions, with attention to compatibility in reactions involving nucleophiles or strong bases.
2-Ethoxy-5-(methylsulfonyl)pyridine structure
721430-01-9 structure
Product Name:2-Ethoxy-5-(methylsulfonyl)pyridine
CAS No:721430-01-9
MF:C8H11NO3S
MW:201.242841005325
CID:558449
PubChem ID:22270327
Update Time:2025-11-02

2-Ethoxy-5-(methylsulfonyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Ethoxy-5-(methylsulfonyl)pyridine
    • 2-ethoxy-5-methylsulfonylpyridine
    • Pyridine,2-ethoxy-5-(methylsulfonyl)-
    • LogP
    • 721430-01-9
    • SCHEMBL3528983
    • 2-ETHOXY-5-METHANESULFONYLPYRIDINE
    • E72603
    • 2-Ethoxy-5-(methanesulfonyl)pyridine
    • FT-0766331
    • MFCD11226233
    • DTXSID00624109
    • GVMWYRKSNIIRON-UHFFFAOYSA-N
    • DA-03289
    • Pyridine, 2-ethoxy-5-(methylsulfonyl)- (9CI)
    • Inchi: 1S/C8H11NO3S/c1-3-12-8-5-4-7(6-9-8)13(2,10)11/h4-6H,3H2,1-2H3
    • InChI Key: GVMWYRKSNIIRON-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=NC(=CC=1)OCC)(=O)=O

Computed Properties

  • Exact Mass: 201.04596439g/mol
  • Monoisotopic Mass: 201.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 245
  • 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: 0.8
  • Topological Polar Surface Area: 64.6?2

Experimental Properties

  • Density: 1.22
  • Boiling Point: 355.978°C at 760 mmHg
  • Flash Point: 169.09°C
  • Refractive Index: 1.506

2-Ethoxy-5-(methylsulfonyl)pyridine Pricemore >>

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Additional information on 2-Ethoxy-5-(methylsulfonyl)pyridine

Comprehensive Overview of 2-Ethoxy-5-(methylsulfonyl)pyridine (CAS No. 721430-01-9)

2-Ethoxy-5-(methylsulfonyl)pyridine (CAS No. 721430-01-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique pyridine core functionalized with ethoxy and methylsulfonyl groups, serves as a versatile intermediate in the synthesis of bioactive molecules. Its molecular structure, C8H11NO3S, combines aromaticity with polar substituents, making it valuable for applications requiring precise chemical modifications.

The growing interest in 2-Ethoxy-5-(methylsulfonyl)pyridine aligns with trends in drug discovery, where researchers seek sulfone-containing heterocycles for their metabolic stability and binding affinity. Recent studies highlight its role in developing kinase inhibitors and antimicrobial agents, addressing global health challenges like antibiotic resistance. The compound’s methylsulfonyl group enhances hydrogen-bonding interactions, a feature increasingly exploited in structure-activity relationship (SAR) studies.

From an industrial perspective, CAS 721430-01-9 is synthesized via controlled etherification and oxidation steps, ensuring high purity for regulatory compliance. Analytical techniques such as HPLC and NMR spectroscopy are critical for quality control, reflecting the demand for traceable intermediates in Good Manufacturing Practice (GMP) environments. Sustainability concerns have also driven innovations in its production, with greener solvents like 2-methyltetrahydrofuran replacing traditional options.

In agrochemistry, derivatives of 2-Ethoxy-5-(methylsulfonyl)pyridine are explored for crop protection, particularly against fungal pathogens. This resonates with the agricultural sector’s focus on eco-friendly pesticides, as the compound’s mode of action minimizes non-target toxicity. Patent filings indicate its utility in systemic acquired resistance (SAR) inducers, a hot topic in sustainable farming.

For researchers querying "pyridine sulfone applications" or "CAS 721430-01-9 synthesis", this compound exemplifies the intersection of medicinal chemistry and material science. Its thermal stability (decomposition >200°C) and solubility profile (logP ~1.2) make it suitable for diverse formulations. Regulatory databases classify it as non-hazardous under standard handling conditions, though proper personal protective equipment (PPE) is recommended during lab use.

The commercial availability of 2-Ethoxy-5-(methylsulfonyl)pyridine through specialty chemical suppliers underscores its industrial relevance. Pricing trends correlate with demand from contract research organizations (CROs) and academic institutions. Future directions may involve its integration into high-throughput screening libraries or photocatalysis workflows, areas gaining traction in synthetic methodology.

In summary, 721430-01-9 represents a multifaceted building block bridging drug development and agricultural innovation. Its structure-property relationships continue to inspire research, particularly in addressing global health and food security challenges through molecular design.

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