CAS 1187930-65-9

rel-Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate

Description:

Rel-Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate is a chemical compound characterized by its specific stereochemistry and functional groups. It features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and a carboxylate functional group that contributes to its reactivity and solubility properties. The presence of a 4-fluorophenyl substituent indicates that the compound has a fluorine atom attached to a phenyl ring, which can influence its biological activity and lipophilicity. The stereochemical configuration (3R,4S) suggests that the compound has specific spatial arrangements of its atoms, which can significantly affect its pharmacological properties and interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity. Its CAS number, 1187930-65-9, allows for precise identification and retrieval of information related to its properties, synthesis, and applications in scientific literature.

Formula: C₁₂H₁₄FNO₂

InChI: InChI=1/C12H14FNO2/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/s2

InChI key: InChIKey=REBCUOWHHZXWGJ-WIBLRKLZNA-N

SMILES: C(OC)(=O)[C@H]1[C@@H](CNC1)C2=CC=C(F)C=C2

Synonyms:

• rel-Methyl (3R,4S)-4-(4-fluorophenyl)-3-pyrrolidinecarboxylate
• 3-Pyrrolidinecarboxylic acid, 4-(4-fluorophenyl)-, methyl ester, (3R,4S)-rel-