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1-Azabicyclo[2.2.2]oct-3-yl acetate(CAS: 827-61-2)

1-Azabicyclo[2.2.2]oct-3-yl acetate
CAS Number

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Basic Information

Molecular Formula
C9H15NO2
Molecular Weight
169.22 g/mol

Physical Properties

Boiling Point
221.5°C at 760 mmHg
Density
1.0873 (rough estimate)
Flash Point
85ºC

Chemical Identifiers

SMILES
CC(=O)OC1CN2CCC1CC2
InChIKey
WRJPSSPFHGNBMG-UHFFFAOYSA-N

Database References

MDL Number
MFCD00468105

FAQ

1-Azabicyclo[2.2.2]oct-3-yl acetate is a colorless to slightly yellow liquid with a molecular weight of approximately 166.22 g/mol. It has a high boiling point (around 200°C) and low solubility in water (0.1 g/L at 20°C). It is moderately reactive and susceptible to hydrolysis under basic conditions. It is soluble in organic solvents like ethanol and acetone.
1-Azabicyclo[2.2.2]oct-3-yl acetate is synthesized through the reaction of 3-azabicyclo[2.2.2]octane with acetic anhydride. The reaction is typically conducted in the presence of a catalytic amount of triethylamine. The yield is around 85%, with good regioselectivity and stereoselectivity.
1-Azabicyclo[2.2.2]oct-3-yl acetate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various biologically active compounds. It also has applications in the polymer industry, where it can be used as a monomer or crosslinking agent. Some researchers also use it in the development of sensors and semiconductors.
Handle 1-Azabicyclo[2.2.2]oct-3-yl acetate in a well-ventilated area or a fume hood due to its volatility. Wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and sources of heat. In case of a spill, immediately clean up with appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.

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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