Cas no 70432-50-7 (Ethyl 5-oxoheptanoate)

Ethyl 5-oxoheptanoate is a versatile organic compound with a diverse range of applications. It exhibits high stability, making it suitable for various chemical processes. Its unique chemical structure endows it with excellent solvating properties, contributing to its utility in organic synthesis. This compound is also valued for its compatibility with various solvents, enhancing its practicality in industrial applications.
Ethyl 5-oxoheptanoate structure
Ethyl 5-oxoheptanoate structure
Product Name:Ethyl 5-oxoheptanoate
CAS No:70432-50-7
MF:C9H16O3
MW:172.221543312073
MDL:MFCD01320338
CID:1068494
PubChem ID:12487640
Update Time:2025-10-18

Ethyl 5-oxoheptanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-oxoheptanoate
    • 4-Propionyl-buttersaeure-aethylester
    • 5-oxo-heptanoic acid ethyl ester
    • 5-Oxo-heptansaeure-aethylester
    • AG-G-74976
    • CTK5D2386
    • KB-202178
    • SCHEMBL3947515
    • MFCD01320338
    • DTXSID40500094
    • ETHYL5-OXOHEPTANOATE
    • 5-Oxoheptanoic acid ethyl ester
    • 70432-50-7
    • AKOS006278162
    • EN300-7540930
    • G42650
    • MDL: MFCD01320338
    • Inchi: 1S/C9H16O3/c1-3-8(10)6-5-7-9(11)12-4-2/h3-7H2,1-2H3
    • InChI Key: WLXRVSJEIILBSD-UHFFFAOYSA-N
    • SMILES: O(CC)C(CCCC(CC)=O)=O

Computed Properties

  • Exact Mass: 172.10998
  • Monoisotopic Mass: 172.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 152
  • 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: 0.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Ethyl 5-oxoheptanoate Pricemore >>

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Additional information on Ethyl 5-oxoheptanoate

Ethyl 5-oxoheptanoate (CAS No. 70432-50-7): A Comprehensive Overview

Ethyl 5-oxoheptanoate, identified by the Chemical Abstracts Service Number (CAS No.) 70432-50-7, is an organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This ester, derived from heptanoic acid, exhibits unique chemical properties that make it a valuable intermediate in various synthetic applications. Its molecular structure, characterized by a five-carbon ketone group and an ethyl ester moiety, positions it as a versatile building block for more complex molecules.

The compound's significance extends beyond its structural attributes, as it has been explored in multiple research domains, including medicinal chemistry and material science. Recent studies have highlighted its potential role in the synthesis of bioactive molecules, particularly those with antimicrobial and anti-inflammatory properties. The Ethyl 5-oxoheptanoate molecule's ability to undergo various chemical transformations, such as condensation and cyclization reactions, makes it a promising candidate for drug development.

In the realm of medicinal chemistry, the< strong> CAS No. 70432-50-7 compound has been investigated for its pharmacological effects. Researchers have been particularly interested in its derivatives, which exhibit enhanced bioavailability and reduced toxicity compared to their parent compounds. For instance, studies have demonstrated that certain derivatives of Ethyl 5-oxoheptanoate can act as potent inhibitors of specific enzymatic pathways involved in inflammation and oxidative stress. These findings suggest that the compound may have therapeutic applications in conditions such as arthritis and neurodegenerative diseases.

The synthesis of Ethyl 5-oxoheptanoate is another area where significant advancements have been made. Modern synthetic methodologies have enabled the production of this compound with high purity and yield, making it more accessible for industrial applications. Techniques such as catalytic hydrogenation and enzymatic resolution have been employed to optimize the synthesis process. Additionally, green chemistry principles have been integrated into these methods to minimize environmental impact, ensuring sustainable production practices.

Beyond its pharmaceutical applications, Ethyl 5-oxoheptanoate has found utility in material science. Its unique chemical properties make it suitable for use as a solvent and reactant in polymer synthesis. Researchers have explored its incorporation into biodegradable polymers, which are gaining traction due to their eco-friendly nature. The compound's ability to enhance polymer properties such as flexibility and thermal stability has made it a valuable additive in this context.

The regulatory landscape surrounding Ethyl 5-oxoheptanoate is another important consideration. As a chemical intermediate, it is subject to various regulatory guidelines that ensure safe handling and use. Compliance with these regulations is essential for manufacturers and researchers to mitigate any potential risks associated with the compound. Recent updates to safety protocols have emphasized the importance of proper storage and disposal procedures, further underscoring the need for adherence to regulatory standards.

Future research directions for Ethyl 5-oxoheptanoate are promising and multifaceted. Ongoing studies aim to uncover new synthetic pathways that could improve production efficiency and cost-effectiveness. Additionally, investigations into novel derivatives are expected to yield compounds with enhanced pharmacological properties. The integration of computational modeling techniques into these studies promises to accelerate the discovery process by predicting molecular interactions and optimizing drug design.

In conclusion, Ethyl 5-oxoheptanoate (CAS No. 70432-50-7) is a versatile organic compound with significant applications in pharmaceuticals and material science. Its unique chemical properties and synthetic accessibility make it a valuable asset in research and industrial settings. As advancements continue to emerge, the potential uses of this compound are likely to expand, contributing to innovations across multiple scientific disciplines.

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