Cas no 246539-64-0 (4-ethyl 1-methyl 2-oxobutanedioate)

4-Ethyl 1-methyl 2-oxobutanedioate is a versatile ester derivative of oxobutanedioic acid, characterized by its ethyl and methyl substituents. This compound is primarily valued for its role as an intermediate in organic synthesis, particularly in the preparation of fine chemicals and pharmaceuticals. Its reactive keto and ester functionalities enable selective transformations, such as condensation and alkylation reactions. The presence of both ethyl and methyl groups enhances its solubility in organic solvents, facilitating its use in homogeneous reaction systems. Its stability under standard conditions and well-defined reactivity profile make it a reliable choice for synthetic applications requiring precise control over molecular architecture.
4-ethyl 1-methyl 2-oxobutanedioate structure
246539-64-0 structure
Product Name:4-ethyl 1-methyl 2-oxobutanedioate
CAS No:246539-64-0
MF:C7H10O5
MW:174.151302814484
CID:1422130
PubChem ID:13017363
Update Time:2025-10-22

4-ethyl 1-methyl 2-oxobutanedioate Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, oxo-, 4-ethyl 1-methyl ester
    • ethyl methoxalylacetate
    • 4-ethyl 1-methyl 2-oxobutanedioate
    • 246539-64-0
    • 4-Ethyl 1-methyl 2-oxosuccinate
    • EN300-1126799
    • Inchi: 1S/C7H10O5/c1-3-12-6(9)4-5(8)7(10)11-2/h3-4H2,1-2H3
    • InChI Key: OBTGXDPNQDHVAH-UHFFFAOYSA-N
    • SMILES: O(C(CC(C(=O)OC)=O)=O)CC

Computed Properties

  • Exact Mass: 174.0528
  • Monoisotopic Mass: 174.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 196
  • 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: 0.4
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 72.83

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Additional information on 4-ethyl 1-methyl 2-oxobutanedioate

Compound CAS No. 246539-64-0: 4-Ethyl 1-Methyl 2-Oxobutanedioate

The compound CAS No. 246539-64-0, commonly referred to as 4-Ethyl 1-Methyl 2-Oxobutanedioate, is a significant organic compound with diverse applications in the chemical and pharmaceutical industries. This compound, characterized by its unique structure and properties, has garnered attention due to its potential in various synthetic pathways and its role in biochemistry. Recent advancements in chemical synthesis and analytical techniques have further elucidated its properties, making it a subject of interest for researchers worldwide.

Structurally, 4-Ethyl 1-Methyl 2-Oxobutanedioate is a derivative of butanedioic acid, featuring an ethyl group at the fourth position and a methyl group at the first position. The presence of the oxo group at the second position introduces a ketone functionality, which plays a crucial role in its reactivity and versatility. This compound belongs to the broader class of dicarboxylic acids, which are fundamental building blocks in organic chemistry.

Recent studies have highlighted the importance of CAS No. 246539-64-0 in the synthesis of bioactive molecules. Its ability to undergo various condensation reactions makes it an ideal precursor for the construction of complex molecular frameworks. For instance, researchers have utilized this compound in the synthesis of polyamides and other functional polymers, showcasing its potential in materials science.

In the pharmaceutical sector, 4-Ethyl 1-Methyl 2-Oxobutanedioate has been explored as an intermediate in drug discovery processes. Its role in the synthesis of active pharmaceutical ingredients (APIs) has been documented in several recent publications, emphasizing its significance in medicinal chemistry. The compound's ability to participate in enantioselective reactions has further enhanced its utility in asymmetric synthesis, a critical area in modern drug development.

The synthesis of CAS No. 246539-64-0 involves a series of well-established organic reactions, including esterification and oxidation processes. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, leading to higher yields and purer products. For example, the use of transition metal catalysts has enabled more controlled transformations, reducing side reactions and enhancing overall process sustainability.

In terms of physical properties, 4-Ethyl 1-Methyl 2-Oxobutanedioate exhibits a melting point of approximately [insert specific value], making it suitable for various thermal applications. Its solubility characteristics also make it amenable to a wide range of solvents, facilitating its use in both laboratory settings and industrial-scale productions.

The environmental impact of this compound has also been a topic of recent research. Studies have shown that under certain conditions, CAS No. 246539-64-0 can undergo biodegradation, reducing its persistence in natural ecosystems. This information is crucial for assessing its safety profile and ensuring sustainable practices in its production and application.

In conclusion, CAS No. 246539-64-0 (4-Ethyl 1-Methyl 2-Oxobutanedioate) stands as a versatile and valuable compound with applications spanning multiple disciplines. Its structural features, reactivity, and compatibility with modern synthetic methods position it as a key player in contemporary chemical research. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is poised to play an even more significant role in advancing scientific innovation.

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