4-[(3-<em>endo</em>)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile | CAS No. 870888-46-3

4-[(3-<em>endo</em>)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile

Basic Information

CAS Number

870888-46-3

Molecular Formula

C18H18N2O

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

Melting Point

158-162 °C

N#Cc1ccc(c2c1cccc2)N1[C@@H]2CC[C@H]1C[C@H](C2)O

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

  • 1-Naphthalenecarbonitrile,4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-
  • 4-[(3-endo)-3-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl]naphthalene-1-carbonitrile
  • AC-262536

MDL Number

MFCD24386408

FAQ

What are the physical and chemical properties of 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3)?

4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3) is a white crystalline solid with a molecular weight of approximately 302.33 g/mol. It has low water solubility but good solubility in organic solvents such as methanol and ethanol. This compound is relatively stable under normal conditions but can react with strong bases. It is used in pharmaceutical research and as an intermediate in organic synthesis.

How is 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3) typically synthesized?

4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3) is synthesized via a multi-step process involving the condensation of a naphthalenecarbonitrile with a nitrile-functionalized azabicyclo[3.2.1]octane derivative. Common catalysts include palladium complexes. The reaction typically yields 85-90% of the target compound with good selectivity.

What industries use 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3)?

4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3) is utilized in the pharmaceutical industry for the synthesis of various organic compounds. It is also used in the polymer industry as a precursor for functionalized polymers and in the semiconductor industry for the development of organic electronic materials.

What precautions should be taken when handling 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3)?

When handling 4-[(3-endo)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-naphthalenecarbonitrile (CAS: 870888-46-3), safety goggles and gloves should be worn. It should be stored in a cool, dry place away from direct sunlight. In case of spill, it should be cleaned up immediately with appropriate PPE. Always refer to the Material Safety Data Sheet (MSDS) for detailed information on handling and storage.

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