8-Methyl-8-azabicyclo[3.2.1]octan-2-one

Basic Information

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CAS Number

78477-91-5

Molecular Formula

C8H13NO

Molecular Weight

139.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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O=C1CCC2N(C1CC2)C

InChI

InChI=1S/C8H13NO/c1-9-6-2-4-7(9)8(10)5-3-6/h6-7H,2-5H2,1H3

InChIKey

VIZAOHGVLPCBMA-UHFFFAOYSA-N

LogP

0.8121

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

8-methyl-8-Azabicyclo[3.2.1]octan-2-one
8-Methyl-8-aza-bicyclo[3.2.1]octan-2-one
8-methyl-8-azabicyclo[3.2.1]octan-2-one

MDL Number

MFCD22415325

FAQ

What are the physical and chemical properties of 8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5)?

8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5) is a white crystalline solid with a molecular weight of approximately 152.23 g/mol. It is moderately soluble in organic solvents like ethanol and acetone but less soluble in water. The compound is known for its reactivity, particularly in acid-catalyzed reactions. It has a strong ketone functionality and can form stable complexes with various metal ions.

How is 8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5) typically synthesized?

8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5) is typically synthesized via a multi-step process involving the cycloaddition of 1,3-diketone with a nitrogen-containing compound such as morpholine. The reaction is catalyzed by a base and proceeds with excellent regioselectivity. The overall yield is around 70-80%, and the product can be isolated by recrystallization.

What industries use 8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5)?

8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5) finds applications in pharmaceuticals for its modulating effects on receptor binding. It is also used in the production of certain polymers due to its unique reactivity with metal ions. Additionally, it has potential use in sensor technology for detecting specific chemical compounds and in semiconductor materials for its electronic properties.

What precautions should be taken when handling 8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5)?

Proper handling of 8-Methyl-8-azabicyclo[3.2.1]octan-2-one (CAS: 78477-91-5) requires the use of personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be handled in a fume hood to avoid inhalation. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.