CAS 1269531-79-4

3-Cyano-α-ethylbenzenepropanoic acid

Description:

3-Cyano-α-ethylbenzenepropanoic acid is an organic compound characterized by its functional groups, which include a cyano group (-CN) and a carboxylic acid group (-COOH). This compound features a propanoic acid backbone with an ethylbenzene substituent at the alpha position relative to the carboxylic acid. The presence of the cyano group introduces notable polarity and potential reactivity, making it useful in various chemical syntheses and applications. The compound's structure suggests it may exhibit properties typical of both aromatic and aliphatic compounds, including potential solubility in organic solvents and moderate stability under standard conditions. Its unique combination of functional groups may also impart specific biological activities or reactivity patterns, making it of interest in pharmaceutical and agrochemical research. As with many organic compounds, safety data and handling precautions should be observed, particularly due to the presence of the cyano group, which can be toxic. Overall, 3-Cyano-α-ethylbenzenepropanoic acid represents a versatile building block in organic synthesis.

Formula: C₁₂H₁₃NO₂

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

InChI key: InChIKey=NWAJJMUIXWLXMC-UHFFFAOYSA-N

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

Synonyms:

• 3-Cyano-α-ethylbenzenepropanoic acid
• Benzenepropanoic acid, 3-cyano-α-ethyl-