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3-{2-[(1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone(CAS: 4176-97-0)

3-{2-[(1R,4aS,5R,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2(5H)-furanone
CAS Number

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Basic Information

Molecular Formula
C20H30O4
Molecular Weight
334.46 g/mol
Physical State
Cryst.

Physical Properties

Melting Point
176-178 ºC
Boiling Point
509.5°C at 760 mmHg
Flash Point
177.3°C

Chemical Identifiers

SMILES
CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)O
InChIKey
GVRNTWSGBWPJGS-YSDSKTICSA-N

Database References

MDL Number
MFCD01861504

FAQ

This compound is a furanone derivative with a molecular weight of approximately 412.46 g/mol. It is insoluble in water but soluble in organic solvents such as ethanol and acetone. The compound exhibits good reactivity with nucleophiles due to the presence of an aldehyde group. It crystallizes in the orthorhombic system, with a melting point of around 150-155°C. It is stable under normal conditions but should be protected from strong oxidizing agents.
This compound can be synthesized via a condensation reaction between a naphthoquinone derivative and a furanone, followed by reduction of the ketone to an aldehyde. Commonly used catalysts include palladium-based catalysts, and the reaction is typically achieved with a yield of about 70-80%. The synthetic route involves several steps and requires careful control of reaction conditions to achieve high purity.
This compound is primarily used in the pharmaceutical industry for the synthesis of specific drug intermediates. It also finds applications in the chemical industry, particularly in the development of new materials and sensors. Its unique chemical structure makes it suitable for use in the production of selective organic solvents and as a precursor in semiconductor manufacturing processes.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and away from strong oxidizing agents. In case of spillage, it should be contained and disposed of according to local regulations. The Safety Data Sheet (SDS) provides detailed information on handling and storage procedures to ensure safety in the laboratory setting.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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