CAS 886369-03-5

Ethyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate

Description:

Ethyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate is a chemical compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. The presence of the trifluoroethyl group introduces significant electronegativity and steric effects, influencing the compound's reactivity and solubility. The amino group attached to the trifluoroethyl moiety can participate in hydrogen bonding, enhancing its potential interactions in biological systems. This compound is likely to be a white to off-white solid or liquid, depending on its purity and specific conditions. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, particularly due to the trifluoromethyl group, which is known to enhance metabolic stability and lipophilicity. Additionally, the compound may exhibit interesting biological activities, making it a candidate for further research in medicinal chemistry. Safety data should be consulted for handling and usage, as the presence of fluorine atoms can impart unique toxicological properties.

Formula: C₁₁H₁₂F₃NO₂

InChI: InChI=1S/C11H12F3NO2/c1-2-17-10(16)8-5-3-7(4-6-8)9(15)11(12,13)14/h3-6,9H,2,15H2,1H3

InChI key: InChIKey=DQNXCZFKVCZAMA-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(N)C1=CC=C(C(OCC)=O)C=C1

Synonyms:

• Benzoic acid, 4-(1-amino-2,2,2-trifluoroethyl)-, ethyl ester
• Ethyl 4-(1-amino-2,2,2-trifluoroethyl)benzoate