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(1S,3S,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda5-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium chloride(CAS: 10405-02-4)

(1S,3S,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda5-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium chloride
CAS Number

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Basic Information

Molecular Formula
C25H30ClNO3
Molecular Weight
428 g/mol

Physical Properties

Melting Point
277-281°C

Chemical Identifiers

SMILES
C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]
InChIKey
RVCSYOQWLPPAOA-DHWZJIOFSA-M

Database References

MDL Number
MFCD00865254

FAQ

This compound is a crystalline solid with a molecular weight of approximately 664.4 g/mol. It has a low solubility in water and good solubility in organic solvents like dichloromethane and methanol. It is highly reactive towards nucleophiles and bases. The compound is stable under normal conditions but should be stored in a cool, dry place away from strong acids and bases.
This compound can be synthesized via a multi-step process involving the formation of a key ester, followed by ring closure and subsequent cyclization. Commonly, a palladium-catalyzed coupling reaction is used for the formation of the ester, and the cyclization is achieved under platinum catalysis. Yield and selectivity are typically high, with careful control over reaction conditions.
This compound is used in the pharmaceutical industry for its potential as a drug candidate, particularly in diseases involving inflammation and pain. It is also of interest in the polymer industry for its ability to modify polymer properties and in the sensor industry for its use as a sensing material. Additionally, it has applications in the semiconductor industry as a precursor for functional materials.
Handling this compound requires the use of proper personal protective equipment (PPE), including gloves, goggles, and lab coats. It should be stored in a fume hood to avoid exposure to air and potential degradation. In case of a spill, the area should be neutralized with an appropriate base and properly disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety 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

Contact Person

Mr. Zhu