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CAS 109523-16-2

:

2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate

Description:
2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate, with CAS number 109523-16-2, is a bicyclic compound characterized by its unique azabicyclo structure, which incorporates a nitrogen atom into a bicyclic framework. This compound features two carboxylate functional groups, contributing to its potential as a versatile building block in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and interactions with other molecules. The stereochemistry indicated by the (2S) designation suggests specific spatial arrangements of its substituents, which can be crucial for biological activity and binding interactions. Generally, compounds of this type may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. Additionally, the bicyclic nature and functional groups may impart unique solubility and stability characteristics, influencing its behavior in various chemical environments. Overall, this compound represents a fascinating example of complex organic chemistry with potential applications in drug development and synthesis.
Formula:C13H21NO4
InChI:InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-6-4-8(5-7-9)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8?,9?,10-/m0/s1
InChI key:InChIKey=RRRWAYWNXBSUFV-RTBKNWGFSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C2(CCC1(CC2)[H])[H]
Synonyms:
  • (3S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid
  • 2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (2S)-
  • (S)-2-N-(tert-Butyloxycarbonyl)azabicyclo[2.2.2]octane-3-carboxylic acid
  • 2-(1,1-Dimethylethyl) (2S)-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate
  • (2S)-3-[(2-Methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[2.2.2]octane-2-carboxylic acid
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