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CAS 444807-47-0

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Methyl 4-cyano-α,α-dimethylbenzeneacetate

Description:
Methyl 4-cyano-α,α-dimethylbenzeneacetate, identified by its CAS number 444807-47-0, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a cyano group (-CN) attached to a benzene ring, contributing to its potential reactivity and applications in organic synthesis. The presence of the dimethyl groups indicates that the compound has a branched structure, which can influence its physical properties such as boiling point, solubility, and volatility. Typically, compounds like this may exhibit moderate to high polarity due to the cyano and ester functionalities, affecting their interactions with solvents and other chemical species. Methyl 4-cyano-α,α-dimethylbenzeneacetate may be utilized in various chemical reactions, including nucleophilic substitutions and as intermediates in the synthesis of pharmaceuticals or agrochemicals. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper usage and minimize risks.
Formula:C12H13NO2
InChI:InChI=1S/C12H13NO2/c1-12(2,11(14)15-3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3
InChI key:InChIKey=FFCALCDCZITJBM-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C)(C)C1=CC=C(C#N)C=C1
Synonyms:
  • 2-(4-Cyano-phenyl)-2-methylpropionic acid methyl ester
  • Methyl 4-cyano-α,α-dimethylbenzeneacetate
  • Benzeneacetic acid, 4-cyano-α,α-dimethyl-, methyl ester
  • Methyl 2-(4-cyanophenyl)-2-methylpropanoate
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