CAS 125136-76-7

rel-2-(1,1-Dimethylethyl) 6-methyl (1R,4S,6R)-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate

Description:

Rel-2-(1,1-Dimethylethyl) 6-methyl (1R,4S,6R)-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate, with CAS number 125136-76-7, is a chemical compound characterized by its bicyclic structure, which includes a nitrogen atom within a bicyclo[2.2.2]octane framework. This compound features two carboxylate ester functional groups, contributing to its potential reactivity and solubility properties. The presence of the 1,1-dimethylethyl group and the methyl substituent indicates steric hindrance, which may influence its biological activity and interaction with other molecules. The specific stereochemistry, denoted by the (1R,4S,6R) configuration, suggests that the compound may exhibit chiral properties, potentially affecting its pharmacological profile. Such compounds are often of interest in medicinal chemistry due to their structural complexity and potential applications in drug development. Overall, the characteristics of this compound make it a subject of interest for further research in various chemical and biological contexts.

Formula: C₁₄H₂₃NO₄

InChI: InChI=1/C14H23NO4/c1-14(2,3)19-13(17)15-8-9-5-6-11(15)10(7-9)12(16)18-4/h9-11H,5-8H2,1-4H3/t9-,10+,11+/s2

InChI key: InChIKey=VMDDWBSYOBGVND-RNEOENCQNA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@]2([C@H](C(OC)=O)C[C@@](C1)(CC2)[H])[H]

Synonyms:

• 2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester, (1α,4α,6α)-
• rel-2-(1,1-Dimethylethyl) 6-methyl (1R,4S,6R)-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate
• 2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester, (1R,4S,6R)-rel-
• 2-tert-Butyl 6-methyl rel-(1R,4S,6R)-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate

(1S,4R,6S)-2-tert-Butyl 6-methyl 2-azabicyclo[2.2.2]octane-2,6-dicarboxylate

CAS: 125136-76-7

Formula: C₁₄H₂₃NO₄

Molecular weight: 269.3367

Ref: IN-DA000N8O