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8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate(CAS: 243973-20-8)

8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate
CAS Number

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Basic Information

Molecular Formula
C23H32N2O4
Molecular Weight
400.52 g/mol

Chemical Identifiers

SMILES
CCC1=CC(=CC(=C1C2=C(N3CCOCCN3C2=O)OC(=O)C(C)(C)C)CC)C
InChIKey
MGOHCFMYLBAPRN-UHFFFAOYSA-N

Database References

MDL Number
MFCD08690563

FAQ

8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate is a crystalline compound with a molecular weight of approximately 468.55 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetonitrile. This compound exhibits good reactivity, particularly towards nucleophiles and electrophiles, and can undergo ring-opening and substitution reactions under appropriate conditions.
8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate is synthesized via a multi-step process involving the formation of the key intermediate, followed by pivaloylation. The synthesis typically employs standard organic chemistry techniques such as reflux and stirring. High yields and good selectivity are achieved under controlled conditions with appropriate catalysts and reagents.
8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate is primarily used in the pharmaceutical industry for its potential as an intermediate in drug discovery and development. It may also find applications in the polymer industry as a functional monomer and in sensor technology for its electronic properties.
Proper handling of 8-(2,6-Diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-9-yl pivalate requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate 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

Contact Information

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