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tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate(CAS: 748805-97-2)

tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate
CAS Number

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Basic Information

Molecular Formula
C10H17NO4
Molecular Weight
215.25 g/mol
Physical State
Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)N1CCOCC(=O)C1
InChIKey
PFSHWTZFMZJJMP-UHFFFAOYSA-N

Database References

MDL Number
MFCD11976154

FAQ

Tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate is a white crystalline solid with a molecular weight of approximately 222.23 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethyl acetate. The compound reacts readily with bases and can undergo hydrolysis. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.
Tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate is typically synthesized via the condensation of tert-butyl 4-carboxylic acid with 6-aminocaproic acid. This reaction is catalyzed by a mild base, and the product is isolated after purification. The process yields up to 90% of the desired product with a high level of selectivity.
Tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for developing new materials with specific properties. Additionally, it has potential applications in the production of sensors and semiconductors due to its chemical reactivity and stability.
When handling tert-Butyl 6-oxo-1,4-oxazepane-4-carboxylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources. In case of a spill, it should be cleaned up using appropriate techniques, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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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