Cas no 2050-22-8 (Diethyl pyridine-2,3-dicarboxylate)

Diethyl pyridine-2,3-dicarboxylate is a versatile ester derivative of pyridine-2,3-dicarboxylic acid, commonly employed as a key intermediate in organic synthesis and pharmaceutical research. Its bifunctional ester groups and pyridine core make it valuable for constructing heterocyclic compounds, ligands, and coordination complexes. The compound exhibits good solubility in organic solvents, facilitating its use in reactions such as condensation, cyclization, and metal-catalyzed transformations. Its stability under standard conditions and well-defined reactivity profile enhance its utility in fine chemical production. Researchers also leverage its structural features for developing bioactive molecules, including potential drug candidates and agrochemicals. The product is typically characterized by high purity, ensuring reproducibility in synthetic applications.
Diethyl pyridine-2,3-dicarboxylate structure
2050-22-8 structure
Product Name:Diethyl pyridine-2,3-dicarboxylate
CAS No:2050-22-8
MF:C11H13NO4
MW:223.225223302841
MDL:MFCD08689697
CID:42379
PubChem ID:10889517
Update Time:2025-11-02

Diethyl pyridine-2,3-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Diethyl pyridine-2,3-dicarboxylate
    • Diethyl 2,3-pyridinedicarboxylate
    • 2,3-diethoxycarbonylpyridine
    • 2,3-pyridinedicarboxylic acid diethyl ester
    • diethyl pyridine-2,3-dicarboxalate
    • diethylpyridinedicarboxylate
    • pyridine-2,3-dicarboxylic acid diethyl ester
    • pyridine-2,3-dicarboxylic acid dimethyl ester
    • 2,3-Pyridinedicarboxylicacid, diethyl ester (6CI,8CI,9CI)
    • Diethylquinolinate
    • Quinolinic acid diethyl ester
    • SY109940
    • FT-0652928
    • A814611
    • FA-0620
    • 2,3-Pyridinedicarboxylic acid, diethyl ester
    • I11549
    • 2050-22-8
    • DTXSID70447281
    • MFCD08689697
    • AMY32639
    • 2,3-Pyridinedicarboxylic acid, 2,3-diethyl ester
    • AKOS005072790
    • Diethyl pyridine-2 pound not3-dicarboxylate
    • J-520305
    • CS-W006908
    • SCHEMBL1737254
    • 2,3-diethyl pyridine-2,3-dicarboxylate
    • diethylpyridine-2,3-dicarboxylate
    • DB-066223
    • Diethyl 2,3-Pyridinedicarboxylate; Diethyl Quinolinate; Quinolinic Acid Diethyl Ester
    • MDL: MFCD08689697
    • Inchi: 1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-12-9(8)11(14)16-4-2/h5-7H,3-4H2,1-2H3
    • InChI Key: LIVYVINPLCASPD-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC=CN=C1C(=O)OCC)=O

Computed Properties

  • Exact Mass: 223.08400
  • Monoisotopic Mass: 223.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 254
  • 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: 1.6
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.165
  • Boiling Point: 295.8 °C at 760 mmHg
  • Flash Point: 295.8 °C at 760 mmHg
  • Refractive Index: 1.508
  • PSA: 65.49000
  • LogP: 1.43500

Diethyl pyridine-2,3-dicarboxylate Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

Diethyl pyridine-2,3-dicarboxylate Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Diethyl pyridine-2,3-dicarboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:2050-22-8)Diethyl pyridine-2,3-dicarboxylate
Order Number:A814611
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:07
Price ($):218.0

Diethyl pyridine-2,3-dicarboxylate Related Literature

Additional information on Diethyl pyridine-2,3-dicarboxylate

Comprehensive Guide to Diethyl Pyridine-2,3-Dicarboxylate (CAS No. 2050-22-8): Properties, Applications, and Industry Insights

Diethyl pyridine-2,3-dicarboxylate (CAS No. 2050-22-8) is a versatile organic compound widely used in pharmaceutical synthesis, agrochemical formulations, and material science. As a pyridine derivative, it serves as a critical building block for heterocyclic compounds, attracting significant attention from researchers and industrial chemists. This article delves into its molecular structure, synthesis methods, and emerging applications while addressing trending topics like green chemistry and sustainable synthesis—key concerns in modern chemical industries.

The compound’s systematic name, diethyl 2,3-pyridinedicarboxylate, reflects its ester-functionalized pyridine core. With a molecular formula of C11H11NO4, it exhibits unique physicochemical properties, including a melting point range of 45–48°C and solubility in common organic solvents like ethanol and dichloromethane. These traits make it ideal for multistep organic synthesis, particularly in constructing nitrogen-containing heterocycles—a hot topic in drug discovery forums and patent literature.

Recent studies highlight its role in developing biodegradable polymers and photoactive materials, aligning with the global push for eco-friendly alternatives. A 2023 Journal of Organic Chemistry report demonstrated its utility in metal-organic frameworks (MOFs), addressing frequent search queries like "pyridine derivatives in nanotechnology". Furthermore, its low toxicity profile (as per OECD guidelines) positions it favorably compared to traditional halogenated intermediates, resonating with ESG-focused manufacturers.

In pharmaceutical contexts, diethyl pyridine-2,3-dicarboxylate acts as a precursor for anticancer agent scaffolds. Patent analyses reveal its incorporation in kinase inhibitor syntheses—a trending subject given the rise of targeted cancer therapies. Its chemodiversity also extends to agrochemicals, where it modifies pesticide photostability, answering common search terms like "pyridine esters in crop protection".

From a commercial perspective, the compound’s global market is projected to grow at 6.2% CAGR (2024–2030), driven by demand for high-performance specialty chemicals. Analytical techniques like HPLC purity testing (≥98%) and GC-MS characterization ensure quality compliance—frequently searched topics among quality control professionals. Storage recommendations emphasize inert atmospheres to prevent hydrolysis, a practical insight for laboratory handlers.

Innovative applications include its use in OLED materials, where its electron-accepting pyridine ring enhances electroluminescence efficiency. This connects with booming interest in flexible display technologies. Additionally, its derivatization into ionic liquids for battery electrolytes taps into the renewable energy discourse—a strategic alignment with current industry trends.

For researchers exploring structure-activity relationships (SAR), this compound offers modular functionalization sites at C-2 and C-3 carboxylates. Computational chemistry studies (e.g., DFT calculations) frequently reference its molecular orbitals—addressing technical queries like "pyridine dicarboxylate reactivity prediction". Such data-rich applications underscore its relevance in AI-driven drug design pipelines.

Environmental considerations are paramount; recent lifecycle assessments confirm its lower bioaccumulation potential versus aromatic hydrocarbons. Regulatory databases (e.g., REACH) list no major restrictions, though proper laboratory waste management protocols remain essential—an often-searched compliance topic.

In summary, diethyl pyridine-2,3-dicarboxylate (CAS 2050-22-8) bridges academic research and industrial innovation. Its adaptability across life sciences, advanced materials, and clean technology sectors ensures enduring relevance. As synthetic methodologies evolve toward catalyst-free reactions and flow chemistry, this compound’s utility spectrum will likely expand further.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2050-22-8)Diethyl pyridine-2,3-dicarboxylate
A814611
Purity:99%
Quantity:100g
Price ($):218.0
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