CAS 476429-18-2

Methyl α,α-dimethyl-4-(trifluoromethyl)benzeneacetate

Description:

Methyl α,α-dimethyl-4-(trifluoromethyl)benzeneacetate, identified by its CAS number 476429-18-2, is an organic compound characterized by its ester functional group and a complex aromatic structure. This compound features a methyl ester derived from a substituted benzoic acid, specifically with a trifluoromethyl group and two methyl groups on the aromatic ring, which contribute to its unique chemical properties. The presence of the trifluoromethyl group enhances the compound's lipophilicity and can influence its reactivity and interaction with biological systems. Methyl α,α-dimethyl-4-(trifluoromethyl)benzeneacetate is likely to exhibit moderate volatility and may be soluble in organic solvents while being less soluble in water due to its hydrophobic characteristics. Its structural features suggest potential applications in pharmaceuticals, agrochemicals, or as a synthetic intermediate in organic chemistry. However, specific safety and handling guidelines should be followed, as with any chemical substance, to mitigate risks associated with its use.

Formula: C₁₂H₁₃F₃O₂

InChI: InChI=1S/C12H13F3O2/c1-11(2,10(16)17-3)8-4-6-9(7-5-8)12(13,14)15/h4-7H,1-3H3

InChI key: InChIKey=ZIIRSEIPZKDSQH-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C)(C)C1=CC=C(C(F)(F)F)C=C1

Synonyms:

• Methyl α,α-dimethyl-4-(trifluoromethyl)benzeneacetate
• Benzeneacetic acid, α,α-dimethyl-4-(trifluoromethyl)-, methyl ester