CAS 845729-42-2

4-(3-Oxo-4-morpholinyl)benzonitrile

Description:

4-(3-Oxo-4-morpholinyl)benzonitrile, identified by its CAS number 845729-42-2, is a chemical compound characterized by its structural features that include a benzonitrile moiety and a morpholine ring with a ketone functional group. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its unique structural attributes. The presence of the nitrile group contributes to its reactivity and potential for forming hydrogen bonds, while the morpholine ring may enhance solubility and bioavailability. Additionally, the ketone functionality can participate in various chemical reactions, making it a versatile intermediate in organic synthesis. The compound's specific physical and chemical properties, such as melting point, boiling point, and solubility, would depend on the conditions under which it is studied. Overall, 4-(3-Oxo-4-morpholinyl)benzonitrile is of interest for its potential biological activity and utility in chemical research.

Formula: C₁₁H₁₀N₂O₂

InChI: InChI=1S/C11H10N2O2/c12-7-9-1-3-10(4-2-9)13-5-6-15-8-11(13)14/h1-4H,5-6,8H2

InChI key: InChIKey=XYGUMYSLDJVROG-UHFFFAOYSA-N

SMILES: O=C1N(CCOC1)C2=CC=C(C#N)C=C2

Synonyms:

• 4-(4-Cyanophenyl)morpholin-3-one
• 4-(3-Oxomorpholin-4-yl)benzonitrile
• 4-(3-Oxo-4-morpholinyl)benzonitrile
• Benzonitrile, 4-(3-oxo-4-morpholinyl)-