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CAS 7099-90-3

:

4-(1,1-Dimethylethyl)-α-oxobenzeneacetic acid

Description:
4-(1,1-Dimethylethyl)-α-oxobenzeneacetic acid, also known by its CAS number 7099-90-3, is an organic compound characterized by its aromatic structure and functional groups. It features a benzene ring substituted with a ketone and an acetic acid moiety, along with a tert-butyl group, which contributes to its hydrophobic characteristics. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents while being less soluble in water due to its hydrophobic tert-butyl group. The presence of the α-oxobenzeneacetic acid structure suggests potential reactivity, particularly in forming esters or undergoing condensation reactions. Additionally, the tert-butyl group can influence the compound's steric hindrance and overall reactivity. This compound may have applications in organic synthesis, pharmaceuticals, or as an intermediate in chemical manufacturing, although specific applications would depend on further research into its properties and reactivity. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C12H14O3
InChI:InChI=1S/C12H14O3/c1-12(2,3)9-6-4-8(5-7-9)10(13)11(14)15/h4-7H,1-3H3,(H,14,15)
InChI key:InChIKey=YOQYYFSVDYBQEW-UHFFFAOYSA-N
SMILES:C(C(O)=O)(=O)C1=CC=C(C(C)(C)C)C=C1
Synonyms:
  • p-tert-Butylphenylglyoxylic acid
  • 2-(4-tert-Butylphenyl)-2-oxoacetic acid
  • Benzeneacetic acid, 4-(1,1-dimethylethyl)-α-oxo-
  • Glyoxylic acid, (p-tert-butylphenyl)-
  • 4-(1,1-Dimethylethyl)-α-oxobenzeneacetic acid
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