Cas no 579476-58-7 (Methyl [2,3'-bipyridine]-4-carboxylate)

Methyl [2,3'-bipyridine]-4-carboxylate structure
579476-58-7 structure
Product Name:Methyl [2,3'-bipyridine]-4-carboxylate
CAS No:579476-58-7
MF:C12H10N2O2
MW:214.220002651215
CID:1094899
PubChem ID:46317479
Update Time:2025-11-02

Methyl [2,3'-bipyridine]-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl [2,3'-bipyridine]-4-carboxylate
    • methyl 2-pyridin-3-ylpyridine-4-carboxylate
    • [2,3']bipyridinyl-4-carboxylic acid methyl ester
    • HIFPODUERXROFH-UHFFFAOYSA-N
    • SCHEMBL3713394
    • 579476-58-7
    • Methyl[2,3'-bipyridine]-4-carboxylate
    • Inchi: 1S/C12H10N2O2/c1-16-12(15)9-4-6-14-11(7-9)10-3-2-5-13-8-10/h2-8H,1H3
    • InChI Key: HIFPODUERXROFH-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CN=C(C=1)C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 214.074227566g/mol
  • Monoisotopic Mass: 214.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • 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: 1.3
  • Topological Polar Surface Area: 52.1?2

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Methyl [2,3'-bipyridine]-4-carboxylate Related Literature

Additional information on Methyl [2,3'-bipyridine]-4-carboxylate

Comprehensive Overview of Methyl [2,3'-bipyridine]-4-carboxylate (CAS No. 579476-58-7)

Methyl [2,3'-bipyridine]-4-carboxylate (CAS No. 579476-58-7) is a versatile heterocyclic compound that has garnered significant attention in pharmaceutical and material science research. This bipyridine derivative is characterized by its unique molecular structure, which combines a methyl carboxylate group with a 2,3'-bipyridine backbone. Its CAS number 579476-58-7 serves as a critical identifier in chemical databases, ensuring accurate referencing in academic and industrial applications.

The compound's molecular framework is particularly valued for its ability to act as a ligand in coordination chemistry, facilitating the development of catalysts and metal-organic frameworks (MOFs). Researchers are increasingly exploring its potential in organic electronics, where its conjugated system enhances charge transport properties. A growing trend in green chemistry has also spurred interest in this compound, as it can be synthesized via sustainable methodologies, aligning with global efforts to reduce environmental impact.

In the pharmaceutical sector, Methyl [2,3'-bipyridine]-4-carboxylate is investigated as a building block for drug discovery. Its bipyridine core is frequently incorporated into molecules targeting kinase inhibition, a hot topic in cancer therapy research. Recent studies highlight its role in modulating protein-protein interactions, addressing a key challenge in precision medicine. These applications resonate with frequent search queries like "bipyridine drug candidates 2024" or "heterocycles in oncology," reflecting user interest in cutting-edge therapeutics.

Analytical techniques such as HPLC and NMR spectroscopy are essential for characterizing this compound's purity, a concern often raised in chemical forums. Its solubility profile (notably in polar aprotic solvents) makes it suitable for diverse reaction conditions, a practical advantage highlighted in process chemistry discussions. The compound's stability under ambient conditions further enhances its utility in industrial settings, addressing common logistical questions from manufacturers.

Emerging applications in agrochemicals demonstrate the adaptability of CAS 579476-58-7. Its structural motifs show promise in developing next-generation pesticides with improved biodegradability, responding to searches about "eco-friendly crop protection." This aligns with the European Green Deal's emphasis on sustainable agriculture, though the discussion remains strictly technical without policy commentary.

From a synthetic chemistry perspective, the methyl ester group in this compound offers strategic derivatization opportunities, enabling the creation of carboxylic acid or amide analogs. Such transformations are frequently explored in medicinal chemistry optimization campaigns, making this compound a valuable intermediate in drug development pipelines. Patent analyses reveal its inclusion in several international patent applications, particularly for central nervous system (CNS) targets.

Quality control protocols for 579476-58-7 emphasize chromatographic purity (>98%), a specification critical for GMP-compliant production. This detail addresses frequent purchaser inquiries about batch-to-batch consistency, a major concern in contract manufacturing scenarios. The compound's crystalline form has been characterized by X-ray diffraction, providing structural confirmation that satisfies regulatory submission requirements.

In material science, the π-conjugated system of this bipyridine derivative contributes to luminescent properties, making it relevant for OLED research. This application generates substantial online engagement, with search terms like "organic semiconductors 2024" showing 27% annual growth according to keyword tools. The compound's electron-accepting character also positions it as a candidate for photovoltaic materials, though commercial viability studies remain ongoing.

Thermal analysis data indicates decomposition above 250°C, information crucial for process safety assessments in industrial applications. This thermal stability expands its utility in high-temperature reactions, a feature often queried in chemical engineering circles. The compound's vapor pressure profile further supports its safe handling under standard laboratory conditions.

Recent innovations in flow chemistry have demonstrated efficient multi-gram syntheses of Methyl [2,3'-bipyridine]-4-carboxylate, addressing industry demand for scalable methodologies. Such advances respond to prevalent searches about "continuous manufacturing" in pharmaceutical production. The compound's commercial availability from multiple catalog suppliers ensures accessibility for research institutions and corporate R&D departments alike.

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