CAS 1250884-84-4

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

Description:

Rel-2-(1,1-Dimethylethyl) (3R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate, with CAS number 1250884-84-4, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom within a seven-membered ring. This compound features two carboxylate functional groups, contributing to its potential as a versatile building block in organic synthesis. The presence of a hydroxyl group indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The specific stereochemistry, denoted by the (3R,5R) configuration, suggests that the compound may exhibit chiral properties, which can affect its biological activity and interactions with other molecules. Additionally, the tert-butyl group (1,1-dimethylethyl) enhances the compound's lipophilicity, potentially impacting its pharmacokinetic properties. Overall, this compound's unique structural features and functional groups make it of interest in medicinal chemistry and related fields, where it may serve as a precursor or active ingredient in drug development.

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