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CAS 69316-08-1

:

methyl 4-(cyanoacetyl)benzoate

Description:
Methyl 4-(cyanoacetyl)benzoate, with the CAS number 69316-08-1, is an organic compound that features a benzoate structure with a cyanoacetyl group attached to the para position of the aromatic ring. This compound is characterized by its ester functional group, which contributes to its reactivity and solubility properties. It typically appears as a solid or liquid, depending on the specific conditions, and is known for its potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both the cyano and acetyl groups enhances its electrophilic character, making it a useful intermediate in various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, methyl 4-(cyanoacetyl)benzoate may exhibit biological activity, which can be explored in medicinal chemistry. Its stability and reactivity can be influenced by factors such as temperature and solvent choice, making it important to consider these conditions during handling and experimentation.
Formula:C11H9NO3
InChI:InChI=1/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3
InChI key:CTZGTFNYYYZXTE-UHFFFAOYSA-N
SMILES:COC(=O)c1ccc(cc1)C(=O)CC#N
Synonyms:
  • Benzoic Acid, 4-(2-Cyanoacetyl)-, Methyl Ester
  • Methyl-4-(cyanacetyl)benzolcarboxylat
  • Methyl 4-(2-Cyanoacetyl)Benzoate
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