Cas no 1123169-39-0 (1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid)

1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is a heterocyclic organic compound featuring a pyridine core with an ethyl substituent at the 1-position and a carboxylic acid group at the 4-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals and agrochemicals. The presence of both a ketone and carboxylic acid functional group allows for further derivatization, enabling the synthesis of complex molecules. Its stability under standard conditions and compatibility with common organic solvents enhance its utility in multistep reactions. The compound is often employed in the development of bioactive intermediates, offering a balance of reactivity and selectivity for targeted chemical transformations.
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid structure
1123169-39-0 structure
Product Name:1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CAS No:1123169-39-0
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD12198446
CID:1087730
PubChem ID:37134599
Update Time:2025-05-20

1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
    • 1-ethyl-1,2-dihydro-2-oxo-4-Pyridinecarboxylic acid
    • 1-ethyl-2-oxopyridine-4-carboxylic acid
    • 1-ETHYL-2-OXO-1,2-DIHYDRO-4-PYRIDINECARBOXYLIC ACID
    • Ambcb4031419
    • MolPort-016-583-300
    • SureCN4246332
    • AK124671
    • 1-ethyl-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid(SALTDATA
    • YUB16939
    • AKOS006345076
    • F8887-1923
    • DA-29435
    • EN300-747117
    • DTXSID30653245
    • 1123169-39-0
    • AS-68702
    • 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylicacid
    • MFCD12198446
    • Z1201626394
    • C71409
    • SB52500
    • SCHEMBL4246332
    • MDL: MFCD12198446
    • Inchi: 1S/C8H9NO3/c1-2-9-4-3-6(8(11)12)5-7(9)10/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: MZLMUTMYNUZZTC-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C(=O)O)C=CN1CC

Computed Properties

  • Exact Mass: 167.058
  • Monoisotopic Mass: 167.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 278
  • 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: 57.6
  • XLogP3: 0

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 336.6±35.0 °C at 760 mmHg
  • Flash Point: 157.4±25.9 °C
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid Security Information

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1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid Related Literature

Additional information on 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

Comprehensive Overview of 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (CAS No. 1123169-39-0)

1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid (CAS No. 1123169-39-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. This compound, often referred to as a pyridine derivative, is a key intermediate in the synthesis of various bioactive molecules. Its molecular formula, C8H9NO3, highlights its potential for diverse applications, particularly in drug discovery and development. Researchers are increasingly exploring its role in medicinal chemistry, where it serves as a building block for designing novel therapeutics.

The growing interest in 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is driven by its relevance to heterocyclic chemistry, a field that has seen exponential growth in recent years. Heterocycles like this compound are pivotal in the development of small-molecule drugs, which dominate the pharmaceutical industry. With the rise of personalized medicine and targeted therapies, the demand for high-quality intermediates such as this one has surged. Its CAS No. 1123169-39-0 is frequently searched in academic and industrial databases, reflecting its importance in cutting-edge research.

One of the most compelling aspects of 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is its potential application in anti-inflammatory and antimicrobial agents. Recent studies have highlighted the role of pyridine derivatives in modulating biological pathways, making them attractive candidates for drug development. For instance, researchers are investigating its derivatives for their ability to inhibit specific enzymes involved in chronic diseases. This aligns with the broader trend of focusing on mechanism-based drug design, a hot topic in modern pharmacology.

From a synthetic chemistry perspective, 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid offers versatility. Its carboxylic acid functional group allows for easy derivatization, enabling the creation of a wide range of analogs. This flexibility is particularly valuable in combinatorial chemistry, where rapid synthesis and screening of compounds are essential. The compound's stability under various conditions also makes it a reliable choice for high-throughput screening (HTS) applications, a technique widely used in drug discovery.

Environmental and green chemistry considerations are also shaping the discourse around this compound. As the scientific community moves toward sustainable synthesis methods, researchers are exploring eco-friendly routes to produce 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid. Questions like "How can this compound be synthesized with minimal waste?" or "What are the biodegradable alternatives for its solvents?" are frequently asked in online forums and research publications. These inquiries reflect the growing emphasis on green solvents and catalytic processes in chemical manufacturing.

In the context of intellectual property and patent literature, CAS No. 1123169-39-0 has been cited in several patents related to pharmaceutical formulations. This underscores its commercial viability and the competitive landscape surrounding its applications. Companies specializing in fine chemicals and custom synthesis often list this compound in their catalogs, catering to the needs of research institutions and pharmaceutical firms. Its presence in patent databases also signals its potential for blockbuster drug development.

For researchers and industry professionals, understanding the spectroscopic properties of 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid is crucial. Techniques such as NMR spectroscopy, mass spectrometry, and HPLC analysis are commonly employed to characterize this compound. These methods ensure its purity and confirm its structural integrity, which are critical for reproducible results in downstream applications. The compound's chromatographic behavior is another area of interest, particularly for those working in analytical chemistry.

The future of 1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid looks promising, with ongoing research exploring its potential in neurological disorders and metabolic diseases. As the scientific community continues to unravel its mechanisms of action, this compound may play a pivotal role in addressing unmet medical needs. Its combination of structural simplicity and functional diversity makes it a valuable asset in the toolkit of modern chemists and pharmacologists alike.

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