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CAS 2061996-78-7

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Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-

Description:
Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)- is a chemical compound characterized by its complex structure, which includes a benzene ring, an amino group, and a trifluoromethyl group. This compound is a hydrochloride salt, indicating that it is often found in a protonated form, which enhances its solubility in water. The presence of the trifluoromethyl group contributes to its unique electronic properties, potentially influencing its reactivity and biological activity. The methyl ester functional group suggests that it can undergo hydrolysis to release the corresponding carboxylic acid. This compound may exhibit specific pharmacological properties, making it of interest in medicinal chemistry. Its stereochemistry, indicated by the (αS)- designation, suggests that it has a specific spatial arrangement of atoms, which can significantly affect its biological interactions. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and pharmaceutical applications.
Formula:C10H9F4NO2·ClH
InChI:InChI=1S/C10H9F4NO2.ClH/c1-17-9(16)8(15)5-2-3-6(7(11)4-5)10(12,13)14;/h2-4,8H,15H2,1H3;1H/t8-;/m0./s1
InChI key:InChIKey=VXVAIOKUHJANNX-QRPNPIFTSA-N
SMILES:C(F)(F)(F)C1=C(F)C=C([C@@H](C(OC)=O)N)C=C1.Cl
Synonyms:
  • Benzeneacetic acid, α-amino-3-fluoro-4-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (αS)-
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