CAS 1228666-10-1

rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4R)-4-(4-chloro-3-pyridinyl)-1,3-pyrrolidinedicarboxylate

Description:

Rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4R)-4-(4-chloro-3-pyridinyl)-1,3-pyrrolidinedicarboxylate, with the CAS number 1228666-10-1, is a chemical compound characterized by its complex molecular structure, which includes a pyrrolidine ring and multiple functional groups. This compound features a chiral center, contributing to its stereochemistry, which is significant for its biological activity. The presence of a chloro-substituted pyridine moiety suggests potential interactions with biological targets, making it of interest in pharmaceutical research. Additionally, the dimethyl and methyl groups enhance its lipophilicity, potentially influencing its solubility and permeability in biological systems. The dicarboxylate functionality may also play a role in its reactivity and interaction with other molecules. Overall, this compound's unique structural features position it as a candidate for further investigation in medicinal chemistry, particularly in the development of therapeutics targeting specific biological pathways.

Formula: C₁₆H₂₁ClN₂O₄

InChI: InChI=1/C16H21ClN2O4/c1-16(2,3)23-15(21)19-8-11(12(9-19)14(20)22-4)10-7-18-6-5-13(10)17/h5-7,11-12H,8-9H2,1-4H3/t11-,12-/s2

InChI key: InChIKey=JBCBYFOBIDCTEV-XXCBQWOANA-N

SMILES: C(OC)(=O)[C@H]1[C@H](CN(C(OC(C)(C)C)=O)C1)C=2C(Cl)=CC=NC2

Synonyms:

• rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4R)-4-(4-chloro-3-pyridinyl)-1,3-pyrrolidinedicarboxylate
• 1,3-Pyrrolidinedicarboxylic acid, 4-(4-chloro-3-pyridinyl)-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4R)-rel-