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

Basic Information

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CAS Number

57280-22-5

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

86°C/15mmHg

Density

1.071

Flash Point

56 ºC

Refractive Index

1.4560 to 1.4600

SMILES

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CC1(C)OCC2OC2CO1

InChI

InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3

InChIKey

GEKNCWQQNMEIMS-UHFFFAOYSA-N

LogP

0.5367

Topological Polar Surface Area

30.99 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

对热&空气敏感

Synonyms & References

English

4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane
4,4-Dimethyl-3,5,8-trioxabic-yclo[5,1,0]Octane
3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-
4,4-DiMethyl-3,5,8-trioxabicyclo[5,1,0]octane
4,4-DIMETHYL-3,5,8-TRIOXABICYCLO-[5.1.0]-OCTANE
3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-diMethyl-
4,4-dimethyl-3,5,8-trioxabicyclo[5.1.0]octane

MDL Number

MFCD16621162

Customs Code

29329990

FAQ

What are the physical and chemical properties of 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 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.

How is 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane (CAS: 57280-22-5) typically synthesized?

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.

What industries use 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 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.

What precautions should be taken when handling 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane (CAS: 57280-22-5)?

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.