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CAS 1246034-86-5

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2-(1,1-Dimethylethyl) octahydro-2,6(1H)-isoquinolinedicarboxylate

Description:
2-(1,1-Dimethylethyl) octahydro-2,6(1H)-isoquinolinedicarboxylate, identified by its CAS number 1246034-86-5, is a chemical compound that belongs to the class of isoquinoline derivatives. This substance features a bicyclic structure that includes an isoquinoline moiety, which is characterized by its fused benzene and pyridine rings. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, potentially influencing its reactivity and solubility. The compound contains two carboxylate ester functional groups, which can enhance its solubility in organic solvents and may also play a role in its biological activity. The octahydro configuration indicates that the compound is fully saturated, which typically results in increased stability and lower reactivity compared to unsaturated analogs. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. However, specific applications and biological activities would require further investigation and research.
Formula:C15H25NO4
InChI:InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h10-12H,4-9H2,1-3H3,(H,17,18)
InChI key:InChIKey=CYJKTZMTUVOTHR-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC2C(CC(C(O)=O)CC2)CC1
Synonyms:
  • 2,6(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester
  • 2-(1,1-Dimethylethyl) octahydro-2,6(1H)-isoquinolinedicarboxylate
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