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CAS 886360-56-1

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

Description:
4-(Methoxycarbonyl)-β-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid, identified by its CAS number 886360-56-1, is a synthetic organic compound characterized by its complex structure, which includes a benzene ring substituted with both a methoxycarbonyl group and a β-amino acid moiety. This compound features a trifluoroacetyl group, which imparts unique electronic and steric properties, enhancing its reactivity and potential biological activity. The presence of the methoxycarbonyl group suggests that it may participate in various chemical reactions, such as esterification or amidation. Additionally, the trifluoroacetyl group can influence the compound's solubility and stability in different solvents. The overall structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its specific interactions and behavior in biological systems would require further investigation through experimental studies to elucidate its pharmacological properties and potential therapeutic uses.
Formula:C13H12F3NO5
InChI:InChI=1/C13H12F3NO5/c1-22-11(20)8-4-2-7(3-5-8)9(6-10(18)19)17-12(21)13(14,15)16/h2-5,9H,6H2,1H3,(H,17,21)(H,18,19)
InChI key:InChIKey=NNFXBAVWSASERE-UHFFFAOYSA-N
SMILES:C(NC(C(F)(F)F)=O)(CC(O)=O)C1=CC=C(C(OC)=O)C=C1
Synonyms:
  • Benzenepropanoic acid, 4-(methoxycarbonyl)-β-[(2,2,2-trifluoroacetyl)amino]-
  • Benzenepropanoic acid, 4-(methoxycarbonyl)-β-[(trifluoroacetyl)amino]-
  • 4-(Methoxycarbonyl)-β-[(2,2,2-trifluoroacetyl)amino]benzenepropanoic acid
  • See more synonyms
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