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CAS 1439896-97-5

:

α,α-Dimethyl-4-(trifluoromethyl)benzenepropanoic acid

Description:
α,α-Dimethyl-4-(trifluoromethyl)benzenepropanoic acid, identified by its CAS number 1439896-97-5, is a chemical compound characterized by its unique structure, which includes a benzene ring substituted with both a trifluoromethyl group and a propanoic acid moiety. This compound typically exhibits properties associated with both aromatic and aliphatic functionalities, contributing to its potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group enhances lipophilicity and can influence the compound's biological activity, making it of interest in medicinal chemistry. Additionally, the α,α-dimethyl substitution can affect steric hindrance and reactivity. The compound is likely to be a solid at room temperature, with solubility characteristics influenced by the polar carboxylic acid group and the nonpolar aromatic system. Its stability and reactivity can be influenced by the presence of the trifluoromethyl group, which is known to impart unique electronic properties. Overall, this compound represents a fascinating example of how structural modifications can lead to diverse chemical behaviors and potential applications.
Formula:C12H13F3O2
InChI:InChI=1S/C12H13F3O2/c1-11(2,10(16)17)7-8-3-5-9(6-4-8)12(13,14)15/h3-6H,7H2,1-2H3,(H,16,17)
InChI key:InChIKey=HYFCGUVKJAVDBU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC=C(CC(C(O)=O)(C)C)C=C1
Synonyms:
  • α,α-Dimethyl-4-(trifluoromethyl)benzenepropanoic acid
  • 2,2-Dimethyl-3-[4-(trifluoromethyl)phenyl]propanoic acid
  • Benzenepropanoic acid, α,α-dimethyl-4-(trifluoromethyl)-
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