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CAS 3239-81-4

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Ethyl 4-bromo-α-cyano-β-oxobenzenepropanoate

Description:
Ethyl 4-bromo-α-cyano-β-oxobenzenepropanoate, with the CAS number 3239-81-4, is an organic compound characterized by its complex structure, which includes a bromine atom, a cyano group, and an ester functional group. This compound typically appears as a solid or liquid, depending on its specific conditions, and is known for its reactivity due to the presence of the cyano and bromine substituents. The cyano group contributes to its potential as a nucleophile in various chemical reactions, while the ester functionality allows for hydrolysis and other transformations. Ethyl 4-bromo-α-cyano-β-oxobenzenepropanoate may be utilized in synthetic organic chemistry, particularly in the synthesis of more complex molecules or as an intermediate in pharmaceutical development. Its properties, such as solubility and stability, can vary based on the solvent and environmental conditions, making it important to handle it with care in laboratory settings. As with many organic compounds, safety precautions should be observed due to potential toxicity or reactivity.
Formula:C12H10BrNO3
InChI:InChI=1S/C12H10BrNO3/c1-2-17-12(16)10(7-14)11(15)8-3-5-9(13)6-4-8/h3-6,10H,2H2,1H3
InChI key:InChIKey=UBRHTFCMUBIDTG-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)C#N)(=O)C1=CC=C(Br)C=C1
Synonyms:
  • Benzenepropanoic acid, 4-bromo-α-cyano-β-oxo-, ethyl ester
  • Acetic acid, (p-bromobenzoyl)cyano-, ethyl ester
  • Ethyl 4-bromo-α-cyano-β-oxobenzenepropanoate
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