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CAS 848591-68-4

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1,1-Dimethylethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate

Description:
1,1-Dimethylethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate, identified by its CAS number 848591-68-4, is a chemical compound that features a bicyclic structure with a diazabicyclo framework. This compound is characterized by the presence of a carboxylate functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the dimethyl group and phenylmethyl substituent enhances its steric and electronic properties, making it of interest in medicinal chemistry and drug design. The bicyclic structure may impart unique conformational characteristics, influencing its biological activity and interaction with biological targets. Additionally, the compound's solubility, stability, and reactivity can be influenced by the functional groups present, which may affect its utility in various chemical reactions or as a pharmaceutical agent. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those with bicyclic and functionalized structures.
Formula:C18H26N2O2
InChI:InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15-9-16(20)13-19(11-15)10-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3
InChI key:InChIKey=GRRBFNOHAKKYQT-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C2CC(C1)CN(CC3=CC=CC=C3)C2
Synonyms:
  • 1,1-Dimethylethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
  • 3,6-Diazabicyclo[3.2.1]octane-6-carboxylic acid, 3-(phenylmethyl)-, 1,1-dimethylethyl ester
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