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tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate(CAS: 194032-32-1)

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate
CAS Number

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Basic Information

Molecular Formula
C11H22N2O2
Molecular Weight
214.31 g/mol

Physical Properties

Boiling Point
288 ºC
Flash Point
128 ºC

Chemical Identifiers

SMILES
C[C@@H]1NCCCN(C1)C(=O)OC(C)(C)C
InChIKey
GDTFCUXOVITPHU-VIFPVBQESA-N

Database References

MDL Number
MFCD09840678

FAQ

The compound is a white solid with a crystalline form. The molecular weight is approximately 219.33 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and dichloromethane. Chemically, it is stable under normal conditions but can react with strong bases. It is used in organic synthesis and pharmaceuticals due to its reactivity and functional groups.
Tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate can be synthesized through a multi-step process involving the diazepane ring formation followed by esterification with tert-butyl alcohol. Common catalysts include triethylamine, and the reaction typically yields 85-90% purity with good selectivity.
This compound is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also employed in the polymer industry as a monomer for developing new materials. Additionally, it has applications in the semiconductor industry for certain sensors and as a chemical intermediate.
When handling tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate, it is essential to wear proper personal protective equipment (PPE) such as gloves and safety goggles. Work should be performed in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials. Always consult 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

Contact Information

Email

sales@kangruipharm.com