CAS 1228666-27-0

rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate

Description:

The chemical substance known as rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate, with the CAS number 1228666-27-0, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including pyrrolidine and pyridine rings, which contribute to its potential biological activity. The presence of a fluorine atom and a tert-butyl group indicates that it may exhibit unique chemical reactivity and stability. This compound is likely to be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential interactions with biological targets. Its stereochemistry, denoted by the (3R,4S) configuration, suggests specific spatial arrangements that can influence its pharmacological properties. Overall, this substance exemplifies the complexity often found in drug-like molecules, where structural features are intricately linked to their biological functions and therapeutic potential.

Formula: C₂₀H₂₈FN₃O₄

InChI: InChI=1/C20H28FN3O4/c1-20(2,3)28-19(26)24-11-14(15(12-24)18(25)27-4)13-7-8-16(22-17(13)21)23-9-5-6-10-23/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15+/s2

InChI key: InChIKey=DWCQZHQUMYNFSA-PVRQQBJHNA-N

SMILES: C(OC)(=O)[C@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C2=C(F)N=C(C=C2)N3CCCC3

Synonyms:

• rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate
• 1,3-Pyrrolidinedicarboxylic acid, 4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4S)-rel-
• (trans Racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3
• (trans Racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-di
• (trans racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate
• (trans Racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-