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7-(1,1-Dimethylethyl) 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate(CAS: 181873-33-6)

7-(1,1-Dimethylethyl) 2-methyl 3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate
CAS Number

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Basic Information

Molecular Formula
C13H16BrNO4
Molecular Weight
330.17 g/mol

Chemical Identifiers

SMILES
COC(=O)C1=C(Br)C2N(C1C=C2)C(=O)OC(C)(C)C
InChIKey
IYDVHSSMGFFQGK-UHFFFAOYSA-N

Database References

MDL Number
MFCD31579962

FAQ

This compound is a crystalline solid with a molecular weight of approximately 409.18 g/mol. It has poor solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. It is moderately reactive, particularly towards nucleophiles and can undergo bromination and azide reactions. It is not flammable but may react with strong reducing agents.
This compound is typically synthesized via a multi-step process involving bromination and azidation reactions. Commonly, the azide is introduced using sodium azide in basic conditions. The bromination step usually employs NBS (N-bromosuccinimide) as the brominating agent. Other reagents and conditions can be used depending on the desired selectivity and yield.
This compound is mainly used in pharmaceutical research for the synthesis of intermediates and drugs. It may also find applications in polymer chemistry for developing novel materials, and in the development of sensors and semiconductors due to its unique chemical properties.
Proper personal protective equipment (PPE), such as gloves and safety goggles, should be worn when handling this compound. It should be stored in a dry, well-ventilated area and away from strong acids and bases. Spills should be properly cleaned up, and the safety data sheet (SDS) should be consulted for specific disposal instructions. Always ensure a fume hood is used during synthetic operations to minimize inhalation risk.

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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