CAS 117291-11-9

2-Bromo-β-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid

Description:

2-Bromo-β-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid, identified by its CAS number 117291-11-9, is a chemical compound that features a complex structure incorporating both bromine and trifluoroacetyl functional groups. This compound is characterized by its aromatic benzene ring, which is substituted with a bromine atom and a propanoic acid moiety. The presence of the trifluoroacetyl group enhances its reactivity and polarity, making it useful in various synthetic applications. The compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to the hydrophobic nature of the aromatic and trifluoroacetyl components. Additionally, the bromine atom can participate in nucleophilic substitution reactions, while the carboxylic acid group can engage in acid-base chemistry. Overall, this compound's unique functional groups contribute to its potential utility in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety and handling precautions should be observed due to the presence of halogenated and potentially reactive groups.

Formula: C₁₁H₉BrF₃NO₃

InChI: InChI=1S/C11H9BrF3NO3/c12-7-4-2-1-3-6(7)8(5-9(17)18)16-10(19)11(13,14)15/h1-4,8H,5H2,(H,16,19)(H,17,18)

InChI key: InChIKey=GUYNVUOQFJZCAW-UHFFFAOYSA-N

SMILES: C(NC(C(F)(F)F)=O)(CC(O)=O)C1=C(Br)C=CC=C1

Synonyms:

• Benzenepropanoic acid, 2-bromo-β-[(2,2,2-trifluoroacetyl)amino]-
• Benzenepropanoic acid, 2-bromo-β-[(trifluoroacetyl)amino]-
• 2-Bromo-β-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid