CAS 884504-22-7

4-(1-Methylethoxy)-β-oxobenzenepropanenitrile

Description:

4-(1-Methylethoxy)-β-oxobenzenepropanenitrile, identified by its CAS number 884504-22-7, is a chemical compound that features a complex structure characterized by the presence of a nitrile group (-C≡N), a ketone functional group (β-oxobenzene), and an ether moiety (1-methylethoxy). This compound is likely to exhibit properties typical of nitriles, such as moderate polarity and potential solubility in organic solvents. The presence of the β-oxo group suggests that it may participate in various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, the ether group can influence its reactivity and solubility profile. The compound may be of interest in synthetic organic chemistry, potentially serving as an intermediate in the synthesis of pharmaceuticals or agrochemicals. Its specific physical properties, such as boiling point, melting point, and spectral characteristics, would require empirical measurement or detailed literature references for precise information. Overall, this compound's unique functional groups contribute to its potential applications in various chemical contexts.

Formula: C₁₂H₁₃NO₂

InChI: InChI=1S/C12H13NO2/c1-9(2)15-11-5-3-10(4-6-11)12(14)7-8-13/h3-6,9H,7H2,1-2H3

InChI key: InChIKey=SMJDHQGDATWMDR-UHFFFAOYSA-N

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

Synonyms:

• (4-Isopropoxybenzoyl)acetonitrile
• 3-(4-Isopropoxyphenyl)-3-Oxopropanenitrile
• 3-Oxo-3-(4-propan-2-yloxyphenyl)propanenitrile
• 3-Oxo-3-[4-(propan-2-yloxy)phenyl]propanenitrile
• 4-(1-Methylethoxy)-β-oxobenzenepropanenitrile
• Benzenepropanenitrile, 4-(1-Methylethoxy)-Β-Oxo-