![structure of Spiro[4.5]dec-3-en-2-one](https://molwiki.oss-cn-hongkong.aliyuncs.com/structure/49/62167-49-1.svg)
Spiro[4.5]dec-3-en-2-one
Names and Identifiers of Spiro[4.5]dec-3-en-2-one
CAS Number |
62167-49-1 |
|---|---|
IUPAC Name |
spiro[4.5]dec-3-en-2-one |
InChI |
InChI=1S/C10H14O/c11-9-4-7-10(8-9)5-2-1-3-6-10/h4,7H,1-3,5-6,8H2 |
InChIKey |
LFNCHXFQVBSCOG-UHFFFAOYSA-N |
Canonical SMILES |
C1CCC2(CC1)CC(=O)C=C2 |
Physical and chemical properties of Spiro[4.5]dec-3-en-2-one
Molecular Formula |
C10H14O |
|---|---|
Molecular Weight |
150.22 |
Safety Information of Spiro[4.5]dec-3-en-2-one
Applications of Spiro[4.5]dec-3-en-2-one
4-Hydroxy-1-oxa-spiro[4.5]dec-3-en-2-one has several applications in scientific research and industry:
- Organic Synthesis: It serves as a building block for synthesizing more complex spirocyclic compounds.
- Medicinal Chemistry: Due to its unique structure, it is being studied for potential therapeutic applications, particularly in understanding enzyme interactions and biological pathways.
- Specialty Chemicals: It is utilized in the synthesis of materials with specific properties in various industrial applications.
Interaction Studies of Spiro[4.5]dec-3-en-2-one
Interaction studies involving 4-Hydroxy-1-oxa-spiro[4.5]dec-3-en-2-one focus on its binding capabilities with biological molecules. The hydroxyl group can form hydrogen bonds, while the rigid spirocyclic structure enhances its interaction profile with enzymes and receptors. These interactions are crucial for understanding the compound's mechanism of action and potential therapeutic effects.
For instance, compounds similar to 4-Hydroxy-1-oxa-spiro[4.5]dec-3-en-2-one have been evaluated for their ability to inhibit cyclooxygenase enzymes (COX), demonstrating significant anti-inflammatory activity with selectivity indices higher than established drugs like celecoxib.
Similar Compounds: ComparisonWhen comparing 4-Hydroxy-1-oxa-spiro[4.5]dec-3-en-2-one with similar compounds, it stands out due to its specific hydroxyl group and spirocyclic structure. Here are some notable similar compounds:
| Compound Name | Key Features |
|---|---|
| 3-(2,4-Dichlorophenyl)-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one | Contains dichlorophenyl substituent; potential for enhanced biological activity |
| 4-Methoxy-1-oxa-spiro[4.5]dec-3-en-2-one | Methoxy group substitution; different reactivity profile compared to hydroxyl group |
Biological Activity of Spiro[4.5]dec-3-en-2-one
The biological activity of 4-Hydroxy-1-oxa-spiro[4.5]dec-3-en-2-one is linked to its ability to interact with various biological targets. The unique spirocyclic structure allows for specific interactions with enzymes and receptors, potentially modulating their activity. Preliminary studies suggest that compounds with similar structures exhibit significant anti-inflammatory properties, making them candidates for further pharmacological evaluation.
Cas:108-94-1
