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CAS 447416-70-8

:

(βS)-β-Amino-3,4-difluorobenzenepropanoic acid

Description:
(βS)-β-Amino-3,4-difluorobenzenepropanoic acid, identified by its CAS number 447416-70-8, is an organic compound characterized by the presence of both an amino group and a carboxylic acid group, making it an amino acid derivative. The molecule features a propanoic acid backbone with a fluorinated aromatic ring, specifically a benzene ring substituted with two fluorine atoms at the 3 and 4 positions. This substitution can influence the compound's physical and chemical properties, such as solubility, reactivity, and biological activity. The stereochemistry indicated by (βS) suggests that the compound has a specific spatial arrangement, which can be crucial for its interaction with biological systems. Generally, compounds like this may exhibit interesting pharmacological properties, potentially acting as intermediates in the synthesis of pharmaceuticals or as active ingredients in drug formulations. The presence of fluorine atoms often enhances metabolic stability and lipophilicity, which can be advantageous in drug design.
Formula:C9H9F2NO2
InChI:InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
InChI key:InChIKey=BBQXXTOCYJPXDI-QMMMGPOBSA-N
SMILES:[C@@H](CC(O)=O)(N)C1=CC(F)=C(F)C=C1
Synonyms:
  • (βS)-β-Amino-3,4-difluorobenzenepropanoic acid
  • (S)-3-Amino-3-(3,4-difluorophenyl)propanoic acid
  • Benzenepropanoic acid, β-amino-3,4-difluoro-, (βS)-
  • (3S)-3-Amino-3-(3,4-difluorophenyl)propanoic acid
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