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CAS 6362-63-6

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Ethyl β-cyano-α-oxobenzenepropanoate

Description:
Ethyl β-cyano-α-oxobenzenepropanoate, with the CAS number 6362-63-6, is an organic compound that belongs to the class of cyano esters. It features a cyano group (-CN) and an ester functional group, which contribute to its reactivity and potential applications in organic synthesis. The compound typically exhibits a moderate to high polarity due to the presence of the cyano and ester functionalities, influencing its solubility in various solvents. Ethyl β-cyano-α-oxobenzenepropanoate can participate in nucleophilic addition reactions, making it useful in the synthesis of more complex organic molecules. Additionally, its structure suggests potential applications in pharmaceuticals and agrochemicals, where cyano and ester groups are often found in bioactive compounds. The compound's stability under standard conditions allows for its use in various chemical reactions, although it should be handled with care due to the potential toxicity associated with cyano compounds. Overall, this substance is of interest in synthetic organic chemistry for its versatile reactivity and functional group characteristics.
Formula:C12H11NO3
InChI:InChI=1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3
InChI key:InChIKey=YWNRATDDUSMBPR-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)=O)(C#N)C1=CC=CC=C1
Synonyms:
  • Ai3-15927
  • Benzenepropanoic acid, beta-cyano-alpha-oxo-, ethyl ester (9CI)
  • Benzenepropanoic acid, β-cyano-α-oxo-, ethyl ester
  • Brn 0613921
  • Cyanophenylpyruvic acid ethyl ester
  • Ethyl 3-Cyano-2-Oxo-3-Phenylpropanoate
  • Ethyl 3-cyano-2-oxo-3-phenyl-propanoate
  • Ethyl 3-cyano-2-oxo-3-phenylpropionate
  • Ethyl alpha-cyanophenylpyruvate
  • Ethyl cyanophenylpyruvate
  • See more synonyms
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