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Benzyl 1,4-diazepane-1-carboxylate(CAS: 117009-97-9)

Benzyl 1,4-diazepane-1-carboxylate
CAS Number

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Basic Information

Molecular Formula
C13H18N2O2
Molecular Weight
234.3 g/mol

Physical Properties

Boiling Point
130 °C/0.5 mmHg(lit.)

Chemical Identifiers

SMILES
C1CNCCN(C1)C(=O)OCC2=CC=CC=C2
InChIKey
BXDQJVDEALOIQW-UHFFFAOYSA-N

Database References

MDL Number
MFCD01863703

FAQ

Benzyl 1,4-diazepane-1-carboxylate has a crystalline form at room temperature. Its molecular weight is approximately 269.28 g/mol. This compound has moderate solubility in organic solvents like methanol, ethanol, and DMSO. It exhibits good reactivity in organic reactions due to the presence of an ester and amide functional groups.
Benzyl 1,4-diazepane-1-carboxylate is typically synthesized through a multi-step process involving the diazepane formation followed by esterification with benzyl chloride. Commonly, the diazepane ring is formed via an amide coupling reaction, and the resulting amide is then reacted with benzyl chloride in the presence of a base to generate the final product.
Benzyl 1,4-diazepane-1-carboxylate is used in the pharmaceutical and polymer industries for the synthesis of active pharmaceutical ingredients and as a monomer in polymer synthesis. Additionally, it has applications in the development of sensors and semiconductors due to its functional groups.
When handling Benzyl 1,4-diazepane-1-carboxylate, appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat should be worn. The compound should be used in a well-ventilated area or under a fume hood. Spills should be handled carefully, and the Material Safety Data Sheet (MSDS/SDS) should be consulted for specific spill procedures. Ensure proper storage in a cool, dry place away from incompatible materials.

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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