Cas no 317338-46-8 (methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate)

Methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate is a versatile spirocyclic ester compound characterized by its unique 1,4-dioxaspiro[4.5]decane framework. This structure imparts stability and reactivity, making it valuable in synthetic organic chemistry, particularly as an intermediate in the preparation of complex molecules. The presence of both the spirocyclic ketal and ester functionalities allows for selective transformations, including hydrolysis, reduction, or further functionalization. Its well-defined stereochemistry and compatibility with various reaction conditions enhance its utility in pharmaceutical and fine chemical synthesis. The compound is typically handled under inert conditions due to its sensitivity to moisture and strong acids or bases.
methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate structure
317338-46-8 structure
Product Name:methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate
CAS No:317338-46-8
MF:C11H18O4
MW:214.258224010468
MDL:MFCD16620963
CID:1031104
PubChem ID:20711792
Update Time:2025-05-22

methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
    • methyl 1,4-dioxaspiro[4.5]decane-8-acetate
    • (1,4-dioxa-spiro[4.5]dec-8-yl)-acetic acid methyl ester
    • AK133103
    • KB-254959
    • methyl 2-(1,4-dioxaspiro[4.5]dec-8-yl)acetate
    • SureCN966486
    • methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate
    • EN300-170838
    • Methyl2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
    • 317338-46-8
    • MFCD16620963
    • DB-343188
    • DTXSID20609453
    • AB7518
    • Methyl (1,4-dioxaspiro[4.5]decan-8-yl)acetate
    • SCHEMBL966486
    • A911963
    • WTSFUIKKIMELKH-UHFFFAOYSA-N
    • CS-0450979
    • MDL: MFCD16620963
    • Inchi: 1S/C11H18O4/c1-13-10(12)8-9-2-4-11(5-3-9)14-6-7-15-11/h9H,2-8H2,1H3
    • InChI Key: WTSFUIKKIMELKH-UHFFFAOYSA-N
    • SMILES: O1CCOC21CCC(CC(=O)OC)CC2

Computed Properties

  • Exact Mass: 214.12054
  • 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
  • Topological Polar Surface Area: 44.8?2

Experimental Properties

  • Boiling Point: 292.1±15.0°C at 760 mmHg
  • PSA: 44.76

methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate Security Information

methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate Pricemore >>

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Additional information on methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate

Methyl 2-{1,4-Dioxaspiro[4.5]decan-8-yl}acetate (CAS No. 317338-46-8): Properties, Applications, and Market Insights

Methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate (CAS No. 317338-46-8) is a specialized organic compound with a unique spirocyclic structure, making it valuable in synthetic chemistry and pharmaceutical research. This ester derivative features a 1,4-dioxaspiro[4.5]decane core, which contributes to its stability and reactivity in various chemical transformations. Researchers and industries are increasingly interested in this compound due to its potential as a building block for complex molecules.

The spirocyclic ketone acetals like methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate are gaining attention in green chemistry applications. With the growing demand for sustainable synthesis methods, this compound's ability to act as a protecting group or a chiral auxiliary aligns with modern trends in eco-friendly chemical production. Its CAS No. 317338-46-8 serves as a crucial identifier for researchers sourcing high-purity materials for their experiments.

In pharmaceutical applications, the 1,4-dioxaspiro[4.5]decane moiety of this compound shows promise in drug discovery. Recent studies highlight its potential in creating novel drug candidates with improved metabolic stability. The methyl ester functionality adds versatility, allowing for further chemical modifications through hydrolysis or transesterification reactions. These properties make methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate particularly valuable in medicinal chemistry research.

The synthesis of methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate typically involves the reaction of corresponding spirocyclic alcohols with methyl acetoacetate derivatives. Process optimization for this compound has become a hot topic in organic chemistry forums, with researchers sharing methods to improve yield and purity. The CAS 317338-46-8 substance has seen increased patent activity in recent years, particularly in areas related to fragrance compounds and specialty materials.

Analytical characterization of methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate reveals interesting spectral properties. The compound typically shows distinctive peaks in NMR spectra due to its spirocyclic structure, with the 1,4-dioxaspiro moiety creating characteristic splitting patterns. These analytical signatures are crucial for quality control in production and for researchers verifying compound identity in synthetic applications.

Market trends indicate growing demand for spirocyclic compounds like methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate in the flavor and fragrance industry. The compound's structural features contribute to unique olfactory properties, making it valuable for creating novel scent profiles. Specialty chemical suppliers are increasingly listing CAS 317338-46-8 in their catalogs, reflecting its commercial importance in niche applications.

Storage and handling of methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate require standard laboratory precautions for organic esters. The compound is typically stable under recommended conditions, but like many spirocyclic acetals, it may be sensitive to strong acids or prolonged exposure to moisture. Proper storage in airtight containers at controlled temperatures helps maintain its quality for extended periods.

Future research directions for methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate (CAS No. 317338-46-8) may explore its potential in material science applications. The rigid spirocyclic structure could impart desirable properties to polymers or liquid crystals. Additionally, its use in asymmetric synthesis continues to attract interest from academic and industrial researchers developing new catalytic methods.

For researchers working with 1,4-dioxaspiro[4.5]decane derivatives, understanding the reactivity patterns of methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate is essential. The compound's behavior in various reaction conditions, including hydrogenation, oxidation, and nucleophilic substitution, forms an active area of investigation in contemporary organic chemistry studies.

The global market for methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate shows regional variations in demand and supply. While North America and Europe remain significant consumers for research applications, Asian markets are emerging as important manufacturing hubs for this and related spirocyclic compounds. Tracking CAS 317338-46-8 pricing trends requires monitoring raw material availability and regional production capacities.

Quality specifications for methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate typically include purity assessments by GC or HPLC, water content, and residual solvent levels. Pharmaceutical-grade material may require additional testing for heavy metals and other impurities. These quality parameters are crucial for researchers requiring reproducible results in their synthetic work with this spirocyclic ester compound.

Environmental considerations for methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate production and use are becoming increasingly important. The compound's biodegradability profile and ecotoxicological data are subjects of ongoing research, particularly as regulatory frameworks for chemical substances continue to evolve worldwide. Sustainable synthesis routes for CAS 317338-46-8 are likely to gain prominence in coming years.

In conclusion, methyl 2-{1,4-dioxaspiro[4.5]decan-8-yl}acetate (CAS No. 317338-46-8) represents an interesting case study in the growing importance of spirocyclic compounds across multiple scientific and industrial applications. Its unique structural features, synthetic versatility, and potential applications ensure continued interest from researchers and product developers in various fields of chemical science.

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