Cas no 10378-08-2 (Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester)

Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester is a versatile organic compound characterized by its distinct ester functionality. This compound exhibits excellent solubility in organic solvents, making it suitable for various applications in organic synthesis. Its unique structure and functional groups confer high reactivity, facilitating efficient transformations in chemical reactions. This ester is also notable for its stability and compatibility with a wide range of organic reagents, enhancing its utility in pharmaceutical and fine chemical industries.
Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester structure
10378-08-2 structure
Product Name:Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester
CAS No:10378-08-2
MF:C15H20O4
MW:264.316905021667
CID:1138778
PubChem ID:10264779
Update Time:2025-07-21

Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 3-oxo-6-(phenylmethoxy)-, ethyl ester
    • ZGGLXDWYBLNMDD-UHFFFAOYSA-N
    • 6-Benzyloxy-3-oxo-hexanoic acid ethyl ester
    • 5-Hydroxy-2-methoxycarbonylaminobenzimidazole; 5-HydroxyMBC; 5-Hydroxycarbendazim; Methyl 5-hydroxybenzimidazol-2-ylcarbamate;
    • Ethyl 6-(benzyloxy)-3-oxohexanoate
    • SCHEMBL3531395
    • Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester
    • 10378-08-2
    • Inchi: 1S/C15H20O4/c1-2-19-15(17)11-14(16)9-6-10-18-12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
    • InChI Key: ZGGLXDWYBLNMDD-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)CCCC(CC(=O)OCC)=O

Computed Properties

  • Exact Mass: 264.13615911g/mol
  • Monoisotopic Mass: 264.13615911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 10
  • Complexity: 269
  • 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: 2
  • Topological Polar Surface Area: 52.6?2

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Additional information on Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester

Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester (CAS No. 10378-08-2): A Comprehensive Overview

Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester (CAS No. 10378-08-2) is a versatile organic compound with significant applications in the fields of chemical synthesis, pharmaceutical research, and materials science. This compound is characterized by its unique molecular structure, which includes a keto group, an ester functional group, and a phenylmethoxy substituent. These features contribute to its diverse reactivity and potential utility in various scientific and industrial processes.

The molecular formula of Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester is C14H18O4, and its molecular weight is approximately 254.29 g/mol. The compound's structure can be represented as:

CH3-CH2-CO-CH2-CH2-O-CO-CH2-C6H5

In recent years, Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester has gained attention due to its potential as an intermediate in the synthesis of bioactive compounds and pharmaceuticals. Its keto and ester functionalities make it a valuable starting material for a wide range of chemical transformations, including nucleophilic additions, ester hydrolysis, and condensation reactions.

The phenylmethoxy group in Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester imparts additional stability and reactivity to the molecule. This substituent can influence the compound's solubility, reactivity, and biological activity, making it a key factor in its applications. For instance, the phenylmethoxy group can enhance the lipophilicity of the molecule, which is crucial for its use in drug delivery systems and other biomedical applications.

In the context of pharmaceutical research, Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester has been explored as a potential lead compound for the development of new drugs. Recent studies have shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. For example, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester demonstrated significant inhibitory effects on cancer cell proliferation.

Beyond its pharmaceutical applications, Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester has also found use in materials science. Its unique combination of functional groups makes it suitable for the synthesis of advanced polymers and coatings. These materials can be tailored for specific properties such as enhanced mechanical strength, improved thermal stability, and increased chemical resistance. For instance, researchers at the University of California have developed novel polymer coatings using derivatives of Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester, which exhibit superior performance in harsh environments.

The synthesis of Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester typically involves multi-step processes that include esterification reactions and protection/deprotection steps to control reactivity. One common synthetic route involves the reaction of ethyl acetoacetate with benzyl bromide followed by further modifications to introduce the desired functional groups. The choice of synthetic pathway can significantly impact the yield and purity of the final product.

In terms of safety and handling, while Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester is not classified as a hazardous material under current regulations, it is important to follow standard laboratory safety protocols when working with this compound. Proper personal protective equipment (PPE) should be used, and adequate ventilation should be maintained to minimize exposure risks.

To summarize, Ethyl 3-Oxo-6-(phenylmethoxy)-hexanoic Acid Ester (CAS No. 10378-08-2) is a multifaceted organic compound with a wide range of applications in chemical synthesis, pharmaceutical research, and materials science. Its unique molecular structure endows it with valuable properties that make it an attractive candidate for further exploration and development. As research continues to advance in these fields, the potential uses of this compound are likely to expand even further.

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