Cas no 2172056-25-4 (3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid)

3-Cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid is a spirocyclic compound featuring a cyclopropyl group and a carboxylic acid functionality within a dioxaspiro[4.5]decane scaffold. This structure imparts unique steric and electronic properties, making it a valuable intermediate in synthetic organic chemistry, particularly for the development of pharmaceuticals and agrochemicals. The cyclopropyl moiety enhances conformational rigidity, while the spirocyclic framework contributes to structural diversity. The carboxylic acid group allows for further derivatization, enabling the synthesis of esters, amides, or other functionalized derivatives. Its well-defined stereochemistry and stability under various reaction conditions make it a reliable building block for complex molecule synthesis.
3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid structure
2172056-25-4 structure
Product Name:3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid
CAS No:2172056-25-4
MF:C12H16O5
MW:240.252444267273
CID:5567108
PubChem ID:165595917
Update Time:2025-05-22

3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2172056-25-4
    • 3-cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid
    • EN300-1629561
    • 3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid
    • Inchi: 1S/C12H16O5/c13-9(14)12(8-1-2-8)7-11(10(15)17-12)3-5-16-6-4-11/h8H,1-7H2,(H,13,14)
    • InChI Key: BNSPXOITWRCELK-UHFFFAOYSA-N
    • SMILES: O1C(C2(CCOCC2)CC1(C(=O)O)C1CC1)=O

Computed Properties

  • Exact Mass: 240.09977361g/mol
  • Monoisotopic Mass: 240.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 72.8?2

3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid Pricemore >>

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Additional information on 3-cyclopropyl-1-oxo-2,8-dioxaspiro4.5decane-3-carboxylic acid

Exploring the Properties and Applications of 3-cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid (CAS No. 2172056-25-4)

3-cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid (CAS No. 2172056-25-4) is a specialized organic compound with a unique spirocyclic structure, combining a cyclopropyl group and a carboxylic acid functionality. This molecule has garnered significant interest in pharmaceutical and agrochemical research due to its potential as a building block for bioactive molecules. The spirocyclic framework and carboxylic acid moiety make it a versatile intermediate for synthesizing compounds with enhanced stability and target specificity.

Recent trends in drug discovery highlight the growing demand for spirocyclic compounds, as they often exhibit improved metabolic stability and binding affinity compared to linear analogs. Researchers are particularly interested in 3-cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid for its potential in designing kinase inhibitors and GPCR modulators, which are critical in treating diseases like cancer and neurological disorders. Its cyclopropyl group may also contribute to reduced toxicity, a key consideration in modern drug development.

In agrochemical applications, this compound’s structural features align with the industry’s shift toward eco-friendly pesticides. The dioxaspiro scaffold could serve as a precursor for novel biodegradable herbicides, addressing global concerns about environmental persistence. Computational studies suggest that derivatives of CAS No. 2172056-25-4 might interact with plant-specific enzymes, offering a sustainable alternative to traditional agrochemicals.

Synthetic accessibility is another advantage of 3-cyclopropyl-1-oxo-2,8-dioxaspiro[4.5]decane-3-carboxylic acid. Recent publications describe efficient routes using catalytic cyclopropanation and spirocyclization techniques, which are compatible with green chemistry principles. These methods reduce waste and energy consumption, aligning with the pharmaceutical industry’s focus on sustainable synthesis.

Analytical characterization of this compound typically involves NMR spectroscopy and high-resolution mass spectrometry (HRMS) to confirm its purity and structural integrity. Researchers emphasize the importance of chiral separation when applicable, as enantiopure forms may exhibit distinct biological activities. Such details are crucial for patent applications and regulatory submissions.

Looking ahead, CAS No. 2172056-25-4 represents a promising candidate for interdisciplinary innovation. Its applications span from small-molecule therapeutics to smart materials, where its rigid spirocore could enhance mechanical properties. As the scientific community prioritizes molecular diversity and structural complexity, this compound is poised to play a pivotal role in next-generation chemical design.

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