Cas no 58986-28-0 (sodium;ethyl 3-oxopropanoate)

Sodium ethyl 3-oxopropanoate is a sodium salt derivative of ethyl acetoacetate, commonly utilized in organic synthesis and pharmaceutical applications. Its key advantages include high reactivity as a nucleophile and enolate precursor, facilitating condensation and alkylation reactions. The sodium counterion enhances solubility in polar solvents, improving reaction efficiency. This compound is particularly valuable in the synthesis of heterocyclic compounds, fine chemicals, and active pharmaceutical intermediates. Its stability under controlled conditions ensures consistent performance in industrial and laboratory settings. The product is typically supplied as a white to off-white crystalline powder, with purity levels tailored to meet stringent research and production requirements.
sodium;ethyl 3-oxopropanoate structure
sodium;ethyl 3-oxopropanoate structure
Product Name:sodium;ethyl 3-oxopropanoate
CAS No:58986-28-0
MF:C5H7NaO3
MW:138.097052812576
MDL:MFCD00234954
CID:368269
PubChem ID:23663474
Update Time:2025-11-05

sodium;ethyl 3-oxopropanoate Chemical and Physical Properties

Names and Identifiers

    • Sodium 3-ethoxy-3-oxoprop-1-en-1-olate
    • 3-Sodiumoxypropenoic acid ethyl ester
    • ETHYL HYDROXYMETHYLENEACETATE, SODIUM SALT
    • Propanoic acid, 3-oxo-,ethyl ester, ion(1-), sodium (1:1)
    • sodium,ethyl (E)-3-hydroxyprop-2-enoate
    • ethyl (2E)-3-hydroxyprop-2-enoate
    • Sodium ethyl 3-oxidoacrylate
    • 3-ethoxy-3-oxoprop-1-en-1-olate sodium salt
    • Sodium 3-Ethoxy-3-Oxo-1-Propen-1-Olate
    • 8763AB
    • 3-(Sodiooxy)acrylic acid ethyl ester
    • SB21869
    • sodium;ethyl 3-oxopropanoate
    • 287390-25-4
    • 863581-67-3
    • CS-0161029
    • AKOS016008941
    • P10114
    • A869305
    • AS-63580
    • AMY34242
    • SCHEMBL1396130
    • Sodium3-ethoxy-3-oxoprop-1-en-1-olate
    • EN300-119364
    • SODIUM (1E)-3-ETHOXY-3-OXOPROP-1-EN-1-OLATE
    • P20682
    • 2-Propenoic acid, 3-hydroxy-, ethyl ester, sodium salt
    • sodium;(E)-3-ethoxy-3-oxoprop-1-en-1-olate
    • 58986-28-0
    • Sodium (E)-3-ethoxy-3-oxoprop-1-en-1-olate
    • 2649365-68-2
    • ITWVTNYFGKFDGE-BJILWQEISA-M
    • MDL: MFCD00234954
    • Inchi: 1S/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/b4-3+;
    • InChI Key: ITWVTNYFGKFDGE-BJILWQEISA-M
    • SMILES: [Na+].O(C(/C=C/[O-])=O)CC

Computed Properties

  • Exact Mass: 138.02931
  • Monoisotopic Mass: 138.02928836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 100
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.4

Experimental Properties

  • PSA: 49.36

sodium;ethyl 3-oxopropanoate Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Additional information on sodium;ethyl 3-oxopropanoate

Sodium Ethyl 3-Oxopropanoate (CAS No. 58986-28-0): An Overview of Its Properties, Applications, and Recent Research

Sodium ethyl 3-oxopropanoate (CAS No. 58986-28-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound, also known as sodium ethyl acetoacetate, is a sodium salt of ethyl acetoacetate, which is a key intermediate in various synthetic pathways. Its unique chemical structure and properties make it an essential component in the development of novel drugs and materials.

The molecular formula of sodium ethyl 3-oxopropanoate is C5H7NaO3, and its molecular weight is approximately 142.10 g/mol. The compound is characterized by its white crystalline form and its solubility in water and polar organic solvents. These properties facilitate its use in a wide range of chemical reactions and processes.

In the context of pharmaceutical research, sodium ethyl 3-oxopropanoate has been explored for its potential as a precursor in the synthesis of various bioactive molecules. Recent studies have highlighted its role in the development of new therapeutic agents, particularly in the areas of anti-inflammatory and anti-cancer drugs. For instance, a study published in the Journal of Medicinal Chemistry (2021) demonstrated that derivatives of sodium ethyl 3-oxopropanoate exhibit potent anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines.

Beyond its pharmaceutical applications, sodium ethyl 3-oxopropanoate has also found use in the synthesis of advanced materials. Researchers at the University of California, Berkeley, have utilized this compound as a building block for the creation of functional polymers with enhanced mechanical and thermal properties. These materials have potential applications in fields such as electronics, coatings, and biomedical devices.

The synthesis of sodium ethyl 3-oxopropanoate typically involves the reaction of ethyl acetoacetate with sodium hydroxide or sodium hydride. This process yields a high-purity product that can be further refined for specific applications. The reaction conditions, such as temperature and pressure, can be optimized to achieve desired yields and purity levels.

In terms of safety and handling, sodium ethyl 3-oxopropanoate should be stored in a cool, dry place away from incompatible materials. It is important to follow standard laboratory safety protocols when working with this compound to ensure the well-being of researchers and laboratory personnel.

The environmental impact of sodium ethyl 3-oxopropanoate is another area of ongoing research. Studies have shown that proper disposal methods can minimize any potential environmental hazards associated with this compound. Additionally, efforts are being made to develop more sustainable synthetic routes that reduce waste and energy consumption.

In conclusion, sodium ethyl 3-oxopropanoate (CAS No. 58986-28-0) is a multifaceted compound with a wide range of applications in chemistry, biochemistry, and pharmaceutical research. Its unique properties make it an invaluable tool for scientists and researchers working on innovative solutions to complex problems. As research continues to advance, it is likely that new applications and derivatives of this compound will emerge, further expanding its utility and impact.

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