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CAS 1251017-31-8

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rel-1,1-Dimethylethyl (3aR,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate

Description:
Rel-1,1-Dimethylethyl (3aR,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate is a chemical compound characterized by its complex bicyclic structure, which includes a pyrrolidine and quinoline moiety. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility properties. The presence of the dimethyl group indicates steric hindrance, which may influence its biological activity and interactions with other molecules. The stereochemistry, denoted by the (3aR,9bR) configuration, suggests specific spatial arrangements that can affect the compound's pharmacological properties. Typically, such compounds may exhibit interesting biological activities, making them of interest in medicinal chemistry and drug development. The CAS number 1251017-31-8 uniquely identifies this substance, facilitating its recognition in scientific literature and databases. Overall, this compound's structural features suggest potential applications in various fields, including pharmaceuticals and organic synthesis.
Formula:C16H22N2O2
InChI:InChI=1/C16H22N2O2/c1-16(2,3)20-15(19)18-9-11-8-17-14-7-5-4-6-12(14)13(11)10-18/h4-7,11,13,17H,8-10H2,1-3H3/t11-,13-/s2
InChI key:InChIKey=UKODSGDGRCDPPY-BJBPJPDTNA-N
SMILES:C(OC(C)(C)C)(=O)N1C[C@]2(C=3C(NC[C@@]2(C1)[H])=CC=CC3)[H]
Synonyms:
  • 2H-Pyrrolo[3,4-c]quinoline-2-carboxylic acid, 1,3,3a,4,5,9b-hexahydro-, 1,1-dimethylethyl ester, (3aR,9bR)-rel-
  • rel-1,1-Dimethylethyl (3aR,9bR)-1,3,3a,4,5,9b-hexahydro-2H-pyrrolo[3,4-c]quinoline-2-carboxylate
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