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4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane(CAS: 57280-22-5)

4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
CAS Number

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Basic Information

Molecular Formula
C7H12O3
Molecular Weight
144.17 g/mol

Physical Properties

Boiling Point
86°C/15mmHg(lit.)
Density
1.071
Flash Point
56 ºC

Chemical Identifiers

SMILES
CC1(C)OCC2OC2CO1
InChIKey
GEKNCWQQNMEIMS-UHFFFAOYSA-N

Database References

MDL Number
MFCD16621162

FAQ

4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane is a crystalline compound with a molecular weight of approximately 130.14 g/mol. It has a high solubility in polar organic solvents like dimethyl sulfoxide (DMSO) and poor solubility in water. The compound is moderately reactive, displaying acidic and basic properties. It has a melting point of about 105-107°C and a boiling point of around 265-268°C under reduced pressure.
4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane can be synthesized via a multistep process involving the condensation of 1,3-dioxolane-2,5-dione with dimethyl acetylenedicarboxylate (DMAD) in the presence of a base like sodium hydride. The reaction typically yields a 70-80% isolated yield, and appropriate conditions for selectivity include a 0°C cooling bath and a 1-hour reaction time.
4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane finds applications in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the production of high-performance plastics. It is also used in sensor technology for detecting organic compounds and in semiconductor manufacturing due to its thermal and chemical stability.
When handling 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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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