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CAS 203661-67-0

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1,1-Dimethylethyl octahydro-5-hydroxy-2H-isoindole-2-carboxylate

Description:
1,1-Dimethylethyl octahydro-5-hydroxy-2H-isoindole-2-carboxylate, identified by its CAS number 203661-67-0, is a chemical compound that belongs to the class of isoindole derivatives. This substance features a complex structure characterized by a bicyclic isoindole framework, which is further substituted with a carboxylate group and a hydroxyl group. The presence of the dimethyl group contributes to its steric properties, influencing its reactivity and interactions with other molecules. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry and pharmacology. The octahydro configuration indicates a saturated cyclic structure, which can affect the compound's stability and solubility. Additionally, the functional groups present in the molecule suggest potential for hydrogen bonding and other intermolecular interactions, which can play a significant role in its chemical behavior and applications. Overall, this compound's unique structural features may lend it specific properties that are valuable in various chemical and biological contexts.
Formula:C13H23NO3
InChI:InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-11,15H,4-8H2,1-3H3
InChI key:InChIKey=ISZLPPFTZXTGHT-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC2C(C1)CC(O)CC2
Synonyms:
  • 1,1-Dimethylethyl octahydro-5-hydroxy-2H-isoindole-2-carboxylate
  • 2H-Isoindole-2-carboxylic acid, octahydro-5-hydroxy-, 1,1-dimethylethyl ester
  • tert-butyl hexahydro-6-hydroxy-1H-isoindole-2(3H)-carboxylate
  • tert-butyl 5-hydroxy-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers
  • TERT-BUTYL 5-HYDROXYHEXAHYDRO-1H-ISOINDOLE-2(3H)-CARBOXYLATE
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