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CAS 52346-14-2

:

(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone

Description:
(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone, with CAS number 52346-14-2, is a chemical compound characterized by its complex bicyclic structure, which includes a benzoyl group attached to a hexahydroisoquinolinone framework. This compound features a stereocenter, indicated by its specific (4aS,8aS) configuration, which contributes to its potential biological activity and interactions. The presence of the benzoyl moiety suggests that it may exhibit properties typical of benzoyl derivatives, such as potential reactivity in electrophilic aromatic substitution reactions. The hexahydroisoquinolinone core is significant in medicinal chemistry, often associated with various pharmacological activities, including analgesic and anti-inflammatory effects. The compound's solubility, stability, and reactivity can be influenced by its stereochemistry and functional groups, making it a subject of interest in drug development and organic synthesis. Overall, this compound exemplifies the intricate relationship between molecular structure and biological function in organic chemistry.
Formula:C16H17NO2
InChI:InChI=1S/C16H17NO2/c18-15-7-6-14-11-17(9-8-13(14)10-15)16(19)12-4-2-1-3-5-12/h1-7,13-14H,8-11H2/t13-,14-/m0/s1
InChI key:InChIKey=KIGUODXTRRRCCD-KBPBESRZSA-N
SMILES:C(=O)(N1C[C@]2([C@@](CC1)(CC(=O)C=C2)[H])[H])C3=CC=CC=C3
Synonyms:
  • 6(2H)-Isoquinolinone, 2-benzoyl-1,3,4,4a,5,8a-hexahydro-, (4aS-cis)-
  • 6(2H)-Isoquinolinone, 2-benzoyl-1,3,4,4a,5,8a-hexahydro-, (4aS,8aS)-
  • (4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone
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