CAS 898794-90-6

4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898794-90-6, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 2,5-dimethylphenyl group. This compound typically exhibits properties common to aromatic nitriles, such as moderate to high stability under standard conditions and potential solubility in organic solvents. Its molecular structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, due to the presence of both electron-rich and electron-deficient regions. The presence of the nitrile functional group may also impart unique reactivity and polarity characteristics, making it useful in synthetic organic chemistry. Additionally, compounds of this nature may exhibit biological activity, which could be of interest in pharmaceutical research. However, specific physical properties such as melting point, boiling point, and solubility would need to be referenced from experimental data or literature for precise applications.

Formula: C₁₈H₁₇NO

InChI: InChI=1S/C18H17NO/c1-13-3-4-14(2)17(11-13)9-10-18(20)16-7-5-15(12-19)6-8-16/h3-8,11H,9-10H2,1-2H3

InChI key: InChIKey=NMZSPIWWJPQPFH-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC=C(C#N)C=C1)C2=C(C)C=CC(C)=C2

Synonyms:

• Benzonitrile, 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]-
• 4-[3-(2,5-Dimethylphenyl)-1-oxopropyl]benzonitrile

4′-cyano-3-(2,5-dimethylphenyl)propiophenone

CAS: 898794-90-6

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206474