Cas no 1489-97-0 (Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate)

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is a cyclic ketal ester commonly used as an intermediate in organic synthesis. Its spirocyclic structure provides steric and electronic stability, making it valuable for the preparation of complex molecules, particularly in pharmaceutical and fine chemical applications. The ethyl ester moiety enhances solubility in organic solvents, facilitating further functionalization. The 1,4-dioxaspiro[4.5]decane core acts as a protected form of a cyclohexanone derivative, allowing selective reactions at other sites while preserving the carbonyl functionality. This compound is particularly useful in multi-step syntheses where controlled reactivity and stability are required. Its well-defined structure ensures reproducibility in synthetic routes.
Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate structure
1489-97-0 structure
Product Name:Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
CAS No:1489-97-0
MF:C11H18O4
MW:214.258224010468
MDL:MFCD00205582
CID:1011368
PubChem ID:10488810
Update Time:2025-11-07

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
    • 1,4-dioxaspiro[4.5]decane-8-carboxylate
    • 1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Ethyl Ester
    • 1,4-dioxaspiro[4,5]decane-8-carboxylic acid ethyl ester
    • 1,4-dioxa-spiro[4.5]decane-8-carboxylic acid ethyl ester
    • AM805889
    • CTK0E8793
    • ethyl 1,4-dioxaspiro[4,5]decane-8-carboxylate
    • ethyl 1,4-dioxaspiro[4.5]decan-8-carboxylate
    • FT-0667624
    • SureCN5618
    • 1,4-Dioxa-8-carboethoxyspiro[4.5]decane
    • Ethyl 4-Oxocyclohexanecarboxylate Ethylene Ketal
    • 1,4-Dioxaspiro[4.5]decane-8-carboxylic acid, ethyl ester
    • AK153370
    • UXXWGBLTOSRBAY-UHFFFAOYSA-N
    • 4006AJ
    • FCH1689255
    • SY039250
    • AX8226585
    • ST24046714
    • ethy
    • A884314
    • 1,4-dioxa-spiro-[4.5]decane-8-carboxylic acid ethyl ester
    • CS-W005328
    • Ethyl1,4-dioxaspiro[4.5]decane-8-carboxylate
    • DTXSID30440753
    • AB7195
    • AKOS024258334
    • DS-7731
    • MFCD00205582
    • Ethyl 1,4-dioxaspiro[4,5]decane-8-carboxilate
    • ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
    • EN300-171988
    • 1489-97-0
    • SCHEMBL5618
    • SB33758
    • 1,4-Dioxa-8-carboethoxyspiro[4.5]decane; Ethyl 1,4-Dioxaspiro[4.5]decan-8-carboxylate; Ethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate; Ethyl 4-Oxocyclohexanecarboxylate Ethylene Ketal
    • DB-363112
    • Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
    • MDL: MFCD00205582
    • Inchi: 1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3
    • InChI Key: UXXWGBLTOSRBAY-UHFFFAOYSA-N
    • SMILES: O1CCOC21CCC(C(=O)OCC)CC2

Computed Properties

  • Exact Mass: 214.12100
  • Monoisotopic Mass: 214.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 223
  • 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: 1.1
  • Topological Polar Surface Area: 44.8

Experimental Properties

  • PSA: 44.76000
  • LogP: 1.48280

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate Security Information

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate Pricemore >>

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Additional information on Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate (CAS No. 1489-97-0): An Overview of Its Structure, Synthesis, and Applications in Chemical and Pharmaceutical Research

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate (CAS No. 1489-97-0) is a unique and versatile compound that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound belongs to the class of spiro compounds, which are characterized by a central spiro atom connecting two rings. The structure of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate includes a spiro junction between a dioxane ring and a decane ring, with an ethyl ester group attached to the carboxylic acid functionality on the decane ring.

The chemical formula of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is C13H20O4, and its molecular weight is approximately 236.3 g/mol. The compound is known for its stability and reactivity, making it a valuable intermediate in various synthetic pathways. The presence of the dioxane ring and the ethyl ester group imparts unique physical and chemical properties to this compound, which can be exploited in a wide range of applications.

In recent years, the synthesis of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate has been extensively studied due to its potential as a building block for more complex molecules. One common synthetic route involves the reaction of 1,4-dioxaspiro[4.5]decane-8-carbaldehyde with ethanol in the presence of an acid catalyst, followed by esterification to form the desired product. This method is efficient and yields high purity Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate.

The structural features of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate make it particularly useful in the development of pharmaceuticals and biologically active compounds. The spiro junction provides a rigid framework that can influence the conformational flexibility and binding properties of molecules derived from this compound. Additionally, the ethyl ester group can be readily hydrolyzed to form the corresponding carboxylic acid, which can be further modified to introduce various functional groups.

Recent research has explored the potential of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate in drug discovery and development. Studies have shown that derivatives of this compound exhibit promising biological activities, including anti-inflammatory, anti-cancer, and neuroprotective effects. For example, a study published in the Journal of Medicinal Chemistry reported that certain derivatives of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate demonstrated significant anti-inflammatory activity by inhibiting the production of pro-inflammatory cytokines in vitro.

In another study, researchers at a leading pharmaceutical company investigated the use of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate as a scaffold for developing novel anti-cancer agents. The results showed that modified derivatives of this compound exhibited selective cytotoxicity against various cancer cell lines while showing minimal toxicity to normal cells. These findings highlight the potential of Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate as a lead compound for further optimization in drug discovery programs.

Beyond its applications in pharmaceutical research, Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate has also been explored for its use in materials science and chemical synthesis. The rigid spiro structure and functional groups make it suitable for designing polymers with specific properties or as a ligand in coordination chemistry.

In conclusion, Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate (CAS No. 1489-97-0) is a multifaceted compound with significant potential in various scientific fields. Its unique structural features and reactivity make it an attractive candidate for further research and development in organic synthesis, pharmaceuticals, and materials science. As ongoing studies continue to uncover new applications and properties of this compound, it is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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