CAS 1187931-40-3

rel-1-(1,1-Dimethylethyl) (2R,3S)-2-phenyl-1,3-pyrrolidinedicarboxylate

Description:

Rel-1-(1,1-Dimethylethyl) (2R,3S)-2-phenyl-1,3-pyrrolidinedicarboxylate 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 is substituted with two carboxylate ester groups, contributing to its reactivity and solubility in various solvents. The presence of a phenyl group enhances its aromatic characteristics, potentially influencing its interactions in biological systems. The tert-butyl group (1,1-dimethylethyl) provides steric hindrance, which can affect the compound's conformation and reactivity. This compound may exhibit interesting pharmacological properties due to its structural features, making it a candidate for further research in medicinal chemistry. Its specific stereochemistry (2R,3S) indicates the spatial arrangement of atoms, which is crucial for determining its biological activity and interactions with enzymes or receptors. Overall, this compound's unique structure suggests potential applications in drug development and organic synthesis.

Formula: C₁₆H₂₁NO₄

InChI: InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-10-9-12(14(18)19)13(17)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/s2

InChI key: InChIKey=JNMGJNQZIAVFJE-NVHKGDCHNA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H]([C@@H](C(O)=O)CC1)C2=CC=CC=C2

Synonyms:

• 1,3-Pyrrolidinedicarboxylic acid, 2-phenyl-, 1-(1,1-dimethylethyl) ester, (2R,3S)-rel-
• rel-1-(1,1-Dimethylethyl) (2R,3S)-2-phenyl-1,3-pyrrolidinedicarboxylate