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(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate(CAS: 51-34-3)

(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate
CAS Number

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Basic Information

Molecular Formula
C17H21NO4
Molecular Weight
303.36 g/mol
Physical State
Oil

Physical Properties

Melting Point
59oC
Boiling Point
460.3°C at 760 mmHg
Flash Point
232.2°C

Chemical Identifiers

SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4
InChIKey
STECJAGHUSJQJN-FWXGHANASA-N

Database References

MDL Number
MFCD00865260

FAQ

This compound is a crystalline solid with a molecular weight of approximately 269.33 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is highly reactive towards nucleophiles and can undergo various transformations like hydrolysis and esterification. It is also prone to ring-opening reactions under basic conditions.
This compound is typically synthesized via a multistep process involving the construction of the tricyclic backbone, followed by the introduction of the 9-amino group and the phenyl ester functionality. Common catalysts include Lewis acids like boron trifluoride, and the overall yield ranges from 60-80%. Selectivity towards the correct stereochemistry is achieved using chiral auxiliaries and enantioselective reagents.
This compound is primarily used in the pharmaceutical industry due to its structural complexity and potential as a drug lead. It may also find applications in polymer chemistry for developing functional materials, and in chemical sensors for detecting specific analytes. Its unique structure makes it particularly interesting for advanced material science research.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be immediately contained and handled according to the Material Safety Data Sheet (MSDS) guidelines. Ensure proper disposal and storage to prevent environmental contamination.

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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