CAS 1272757-86-4

rel-2-(1,1-Dimethylethyl) (3R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

Description:

Rel-2-(1,1-Dimethylethyl) (3R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate, with CAS number 1272757-86-4, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom in its framework, indicative of its classification as an azabicyclic compound. The presence of multiple functional groups, such as hydroxyl and carboxylate moieties, suggests that it may exhibit polar characteristics, potentially influencing its solubility and reactivity. The specific stereochemistry, denoted by the (3R,5S) configuration, implies that the compound has distinct spatial arrangements that could affect its biological activity and interactions with other molecules. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for the development of pharmaceuticals or as a biochemical probe. Its synthesis and applications would likely be explored in the context of organic synthesis and drug design, particularly in relation to its potential therapeutic effects or mechanisms of action.

Formula: C₁₂H₁₉NO₅

InChI: InChI=1/C12H19NO5/c1-12(2,3)18-11(17)13-6-4-7(8(14)5-6)9(13)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)/t6?,7?,8-,9+/s2

InChI key: InChIKey=SDTKFYMBKIVOOR-POQVQIKPNA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C2(CC1(C[C@H]2O)[H])[H]

Synonyms:

• 2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-hydroxy-, 2-(1,1-dimethylethyl) ester, (3R,5S)-rel-
• rel-2-(1,1-Dimethylethyl) (3R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate