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CAS 1049978-66-6

:

(3S,4R)-4-[4-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid

Description:
The chemical substance known as (3S,4R)-4-[4-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid, with the CAS number 1049978-66-6, is a chiral compound featuring a pyrrolidine ring. Its structure includes a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The presence of a trifluoromethyl group on the phenyl ring enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. The specific stereochemistry indicated by the (3S,4R) configuration suggests that this compound may exhibit unique pharmacological properties compared to its enantiomers. Such compounds are often studied for their potential applications in drug development, particularly in targeting specific biological pathways. Additionally, the trifluoromethyl group can improve metabolic stability and bioavailability. Overall, this compound's characteristics make it a valuable subject for research in various fields, including organic synthesis and pharmaceutical development.
Formula:C12H12F3NO2
InChI:InChI=1S/C12H12F3NO2/c13-12(14,15)8-3-1-7(2-4-8)9-5-16-6-10(9)11(17)18/h1-4,9-10,16H,5-6H2,(H,17,18)/t9-,10+/m0/s1
InChI key:InChIKey=MFKDNBMRBWNZTH-VHSXEESVSA-N
SMILES:C(O)(=O)[C@H]1[C@@H](CNC1)C2=CC=C(C(F)(F)F)C=C2
Synonyms:
  • (3S,4R)-4-[4-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid
  • 3-Pyrrolidinecarboxylic acid, 4-[4-(trifluoromethyl)phenyl]-, (3S,4R)-
  • Trans-4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid-HCl
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