CAS 885518-36-5

Methyl 3-amino-2-methoxy-4-(trifluoromethyl)benzoate

Description:

Methyl 3-amino-2-methoxy-4-(trifluoromethyl)benzoate, with the CAS number 885518-36-5, is an organic compound characterized by its aromatic structure, which includes a methoxy group, an amino group, and a trifluoromethyl group attached to a benzoate moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water, owing to its hydrophobic trifluoromethyl group and polar methoxy and amino groups. The presence of the trifluoromethyl group often imparts unique electronic and steric properties, enhancing its potential as a pharmaceutical intermediate or in agrochemical applications. The amino group can participate in hydrogen bonding, influencing its reactivity and interactions with biological targets. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, which can be utilized for its identification and characterization. Overall, Methyl 3-amino-2-methoxy-4-(trifluoromethyl)benzoate is of interest in various fields, including medicinal chemistry and materials science.

Formula: C₁₀H₁₀F₃NO₃

InChI: InChI=1S/C10H10F3NO3/c1-16-8-5(9(15)17-2)3-4-6(7(8)14)10(11,12)13/h3-4H,14H2,1-2H3

InChI key: InChIKey=PWIAKZSHJGKMIN-UHFFFAOYSA-N

SMILES: O(C)C1=C(C(OC)=O)C=CC(C(F)(F)F)=C1N

Synonyms:

• Methyl 3-amino-2-methoxy-4-(trifluoromethyl)benzoate
• Benzoic acid, 3-amino-2-methoxy-4-(trifluoromethyl)-, methyl ester
• 3-Amino-2-methoxy-4-trifluoromethylbenzoic acid methyl ester