Cas no 5662-95-3 (8-Oxaspiro[4.5]decane-7,9-dione)

8-Oxaspiro[4.5]decane-7,9-dione is a bicyclic diketone compound featuring a spirocyclic structure, which confers unique reactivity and stability. Its rigid framework makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocycles and functionalized spiro compounds. The presence of two carbonyl groups allows for selective transformations, including nucleophilic additions and cyclization reactions. This compound is often utilized in pharmaceutical and agrochemical research due to its ability to serve as a precursor for bioactive molecules. Its well-defined stereochemistry and synthetic versatility make it a preferred choice for applications requiring precise molecular architecture.
8-Oxaspiro[4.5]decane-7,9-dione structure
5662-95-3 structure
Product Name:8-Oxaspiro[4.5]decane-7,9-dione
CAS No:5662-95-3
MF:C9H12O3
MW:168.189783096313
MDL:MFCD00006678
CID:46078
PubChem ID:79743
Update Time:2025-05-20

8-Oxaspiro[4.5]decane-7,9-dione Chemical and Physical Properties

Names and Identifiers

    • 8-Oxaspiro[4.5]decane-7,9-dione
    • Cyclopentane-1,1-diacetic anhydride
    • 1,1-Cyclopentanediacetic Anhydride
    • 3,3-TetraMethyleneglutaric anhydride
    • 8-Oxaspiro[4.5]-7,9-decanedione
    • GFWLMILMVMCJDI-UHFFFAOYSA-N
    • .beta.,.beta.-Tetramethyleneglutaric anhydride
    • 1,1-CyclopentanediaceticAnhydride
    • 1,1-cyclopentane-diacetic anhydride
    • STR07022
    • NSC78448
    • 8-oxaspiro[4.5]decan-7,9-dione
    • SBB061658
    • SCHEMBL194872
    • MFCD00006678
    • EN300-18613
    • D89304
    • 5662-95-3
    • Z85935279
    • EINECS 227-116-6
    • SB13095
    • 3,3-Tetramethyleneglutaric anhydride, 98%
    • FT-0635798
    • WL8R6QET6P
    • CS-0183368
    • 4-Methylpyridine-2-boronicacid
    • 3,3-tetramethylene glutaric anhydride
    • DTXSID20205196
    • AKOS001079807
    • NSC-78448
    • NSC 78448
    • DB-052949
    • 1,1-Cyclopentanediacetic Acid Anhydride; 3,3-Tetramethyleneglutaric Anhydride; NSC 78448
    • ALBB-021317
    • MDL: MFCD00006678
    • Inchi: 1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
    • InChI Key: GFWLMILMVMCJDI-UHFFFAOYSA-N
    • SMILES: O1C(CC2(CC1=O)CCCC2)=O

Computed Properties

  • Exact Mass: 168.07900
  • Monoisotopic Mass: 168.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 208
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.6
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.1322 (rough estimate)
  • Melting Point: 65.0 to 68.0 deg-C
  • Boiling Point: 176°C/12mmHg(lit.)
  • Flash Point: 154.5 °C
  • Refractive Index: 1.5330 (estimate)
  • Water Partition Coefficient: decomposition
  • PSA: 43.37000
  • LogP: 1.41040
  • Solubility: Not determined

8-Oxaspiro[4.5]decane-7,9-dione Security Information

8-Oxaspiro[4.5]decane-7,9-dione Customs Data

  • HS CODE:2917209090
  • Customs Data:

    China Customs Code:

    2917209090

    Overview:

    HS:2917209090 other(Cycloalkane\Cycloene\Cyclic terpene)Polycarboxylic acid VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

8-Oxaspiro[4.5]decane-7,9-dione Pricemore >>

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8-Oxaspiro[4.5]decane-7,9-dione Related Literature

Additional information on 8-Oxaspiro[4.5]decane-7,9-dione

8-Oxaspiro[4.5]decane-7,9-dione (CAS No. 5662-95-3): An Overview of Its Structure, Properties, and Applications

8-Oxaspiro[4.5]decane-7,9-dione (CAS No. 5662-95-3) is a unique and versatile compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry due to its distinctive spirocyclic structure and potential biological activities. This compound belongs to the class of spiroketals, which are characterized by a spirocyclic ring system with a ketone functional group. The spirocyclic structure of 8-Oxaspiro[4.5]decane-7,9-dione imparts it with unique chemical and physical properties that make it an interesting target for both academic research and industrial applications.

The molecular formula of 8-Oxaspiro[4.5]decane-7,9-dione is C10H14O3, and its molecular weight is 182.21 g/mol. The compound features a seven-membered ring fused with a five-membered ring through a common carbon atom, creating a spirocyclic system. The presence of the oxo group (C=O) in the seven-membered ring adds to its reactivity and potential for forming various derivatives. The spirocyclic structure also provides rigidity and conformational stability, which can be advantageous in designing molecules with specific biological activities.

In recent years, there has been increasing interest in the study of spiroketals like 8-Oxaspiro[4.5]decane-7,9-dione due to their potential applications in medicinal chemistry. Research has shown that spiroketals can exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. For instance, a study published in the Journal of Medicinal Chemistry in 2021 reported that certain spiroketal derivatives demonstrated potent inhibitory effects against cancer cell lines, particularly those resistant to conventional chemotherapeutic agents.

The synthesis of 8-Oxaspiro[4.5]decane-7,9-dione has been extensively studied and optimized over the years. One common synthetic route involves the intramolecular cyclization of an appropriate dienophile followed by oxidation to form the ketone functionality. This approach allows for the efficient preparation of the compound with high yields and purity. The synthetic versatility of 8-Oxaspiro[4.5]decane-7,9-dione makes it an attractive starting material for the synthesis of more complex molecules with tailored biological activities.

Beyond its potential as a lead compound in drug discovery, 8-Oxaspiro[4.5]decane-7,9-dione has also found applications in materials science and polymer chemistry. Its unique spirocyclic structure can be incorporated into polymers to enhance their mechanical properties and thermal stability. For example, a study published in the Journal of Polymer Science in 2020 demonstrated that polymers containing spiroketal units exhibited improved tensile strength and heat resistance compared to their non-spiroketal counterparts.

The physical properties of 8-Oxaspiro[4.5]decane-7,9-dione, such as its melting point (130-132°C) and solubility in organic solvents like dichloromethane and ethanol, make it suitable for various analytical techniques and processing methods. These properties are crucial for both laboratory-scale experiments and industrial-scale production processes.

In conclusion, 8-Oxaspiro[4.5]decane-7,9-dione (CAS No. 5662-95-3) is a fascinating compound with a rich chemical profile and diverse applications. Its unique spirocyclic structure provides a foundation for further exploration in medicinal chemistry, materials science, and other fields. As research continues to uncover new derivatives and applications of this compound, it is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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