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CAS 115238-59-0

:

2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate

Description:
2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate, with CAS number 115238-59-0, is a chemical compound characterized by its complex bicyclic structure, which includes an isoquinoline framework. This compound features two carboxylate groups, contributing to its potential as a versatile building block in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its hydrophobic properties, which can influence its solubility and reactivity in various solvents. The stereochemistry indicated by the (3S,4aS,8aS) notation suggests specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and interactions with other molecules. Typically, such compounds may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. Additionally, the octahydro structure implies that the compound is saturated, which may contribute to its stability and reactivity profile. Overall, this compound's unique structural features and stereochemistry make it a subject of interest for further research and application in chemical and pharmaceutical fields.
Formula:C15H25NO4
InChI:InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12-/m0/s1
InChI key:InChIKey=WWTFZHGXVCAEKT-TUAOUCFPSA-N
SMILES:C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@]2([C@@](C1)(CCCC2)[H])[H]
Synonyms:
  • 2-(1,1-Dimethylethyl) (3S,4aS,8aS)-octahydro-2,3(1H)-isoquinolinedicarboxylate
  • 2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, (3S,4aS,8aS)-
  • 2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-, 2-(1,1-dimethylethyl) ester, [3S-(3α,4aβ,8aβ)]-
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