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CAS 1354970-82-3

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Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βR)-

Description:
Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βR)- is a chemical compound characterized by its complex structure, which includes a benzene ring, a propanoic acid moiety, and a trifluoromethyl group. The presence of the β-amino group indicates that it has an amino functional group attached to the β-carbon of the propanoic acid. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and may influence its biological activity. The trifluoromethyl group is known for imparting unique electronic properties, potentially affecting the compound's reactivity and interaction with biological targets. As a methyl ester, it suggests that the carboxylic acid group is esterified, which can influence its pharmacokinetics and bioavailability. The (βR)- designation indicates a specific stereochemistry, which can be crucial for its biological function. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features and potential biological activity.
Formula:C11H13ClF3NO2
InChI:InChI=1S/C11H12F3NO2.ClH/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14;/h2-5,9H,6,15H2,1H3;1H/t9-;/m1./s1
InChI key:InChIKey=DGWMURZHACRUMX-SBSPUUFOSA-N
SMILES:[C@H](CC(OC)=O)(N)C1=CC(C(F)(F)F)=CC=C1.Cl
Synonyms:
  • Benzenepropanoic acid, β-amino-3-(trifluoromethyl)-, methyl ester, hydrochloride (1:1), (βR)-
  • (R)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid methyl ester hydrochloride
  • METHYL (3R)-3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOATE HYDROCHLORIDE
  • methyl (R)-3-amino-3-(3-(trifluoromethyl)phenyl)propanoate hydrochloride
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