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CAS 1447603-96-4

:

rel-8-(1,1-Dimethylethyl) 6-methyl (1R,6R)-2-oxo-8-azabicyclo[3.2.1]octane-6,8-dicarboxylate

Description:
The chemical substance known as rel-8-(1,1-Dimethylethyl) 6-methyl (1R,6R)-2-oxo-8-azabicyclo[3.2.1]octane-6,8-dicarboxylate, with the CAS number 1447603-96-4, is characterized by its complex bicyclic structure, which includes a nitrogen atom in the ring system, indicative of its azabicyclo classification. This compound features multiple functional groups, including dicarboxylate esters, which contribute to its reactivity and potential applications in medicinal chemistry. The presence of the tert-butyl group (1,1-Dimethylethyl) and a methyl group enhances its steric properties, potentially influencing its biological activity and solubility. The stereochemistry, denoted by the (1R,6R) configuration, suggests specific spatial arrangements that may be crucial for its interaction with biological targets. Overall, this compound's unique structural features may render it of interest in the development of pharmaceuticals or agrochemicals, although specific biological activities and applications would require further investigation through empirical studies.
Formula:C14H21NO5
InChI:InChI=1/C14H21NO5/c1-14(2,3)20-13(18)15-9-5-6-11(16)10(15)7-8(9)12(17)19-4/h8-10H,5-7H2,1-4H3/t8-,9?,10-/s2
InChI key:InChIKey=QOQYWBMVVBXIND-YDFZTMCGNA-N
SMILES:C(OC(C)(C)C)(=O)N1C2([C@@H](C(OC)=O)C[C@]1(C(=O)CC2)[H])[H]
Synonyms:
  • rel-8-(1,1-Dimethylethyl) 6-methyl (1R,6R)-2-oxo-8-azabicyclo[3.2.1]octane-6,8-dicarboxylate
  • 8-Azabicyclo[3.2.1]octane-6,8-dicarboxylic acid, 2-oxo-, 8-(1,1-dimethylethyl) 6-methyl ester, (1R,6R)-rel-
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