CAS 72204-23-0

1-(Phenylmethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate

Description:

1-(Phenylmethyl)(2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate, with the CAS number 72204-23-0, is a chemical compound characterized by its pyrrolidine structure, which features a five-membered ring containing nitrogen. The presence of the phenylmethyl group indicates that a phenyl group is attached to a methylene bridge, contributing to the compound's lipophilicity and potential biological activity. The (2S,4R) stereochemistry suggests specific spatial arrangements of the substituents around the chiral centers, which can significantly influence the compound's reactivity and interactions with biological targets. The fluoro substituent at the 4-position enhances the compound's electronic properties, potentially affecting its pharmacological profile. As a dicarboxylate, it contains two carboxylate functional groups, which can participate in various chemical reactions, including esterification and salt formation. Overall, this compound may exhibit interesting properties for medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features and stereochemistry.

Formula: C₁₃H₁₄FNO₄

InChI: InChI=1S/C13H14FNO4/c14-10-6-11(12(16)17)15(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10-,11+/m1/s1

InChI key: InChIKey=CORSVESTDJTBDT-MNOVXSKESA-N

SMILES: C(OCC1=CC=CC=C1)(=O)N2[C@H](C(O)=O)C[C@@H](F)C2

Synonyms:

• 1-(Phenylmethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate
• 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(phenylmethyl) ester, (2S-trans)-
• 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(phenylmethyl) ester, (2S,4R)-