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3-[2,4-Dichloro-5-(2-propyn-1-yloxy)phenyl]-5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2(3H)-one(CAS: 39807-15-3)

3-[2,4-Dichloro-5-(2-propyn-1-yloxy)phenyl]-5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2(3H)-one
CAS Number

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Basic Information

Molecular Formula
C15H14Cl2N2O3
Molecular Weight
341.19 g/mol
EINECS
254-637-6

Physical Properties

Melting Point
131℃
Boiling Point
429.6±55.0 °C(Predicted)
Density
1.29±0.1 g/cm3(Predicted)
Flash Point
213.6°C

Chemical Identifiers

SMILES
O=C1OC(C(C)(C)C)=NN1C2=CC(OCC#C)=C(Cl)C=C2Cl
InChIKey
DVOODWOZJVJKQR-UHFFFAOYSA-N

Database References

MDL Number
MFCD01755406

FAQ

The compound has a crystalline form and a molecular weight of approximately 410.04 g/mol. It is slightly soluble in water but highly soluble in common organic solvents like DMSO and acetonitrile. Chemically, it is reactive towards nucleophiles and shows good stability under neutral and slightly acidic conditions. It is less reactive towards oxidizing agents and bases.
This compound is typically synthesized via a multistep process involving a Grignard reaction followed by a coupling reaction using a propargyl halide. The key steps include the formation of an organometallic intermediate and subsequent alkylation reactions, with careful control of reagents and conditions to achieve high selectivity and yield.
This compound is used in the pharmaceutical industry for its potential as a precursor in drug synthesis. It may also find applications in the polymer industry for functionalization and in the sensor industry for specific chemical sensing capabilities. Its structure makes it suitable for use in semiconductor applications due to its reactive substituents.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and oxidizing agents. In case of a spill, it should be cleaned up with caution using absorbent materials and disposing of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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