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CAS 936829-00-4

:

2-(1,1-Dimethylethyl) 3,4-dihydro-2,4(1H)-isoquinolinedicarboxylate

Description:
2-(1,1-Dimethylethyl) 3,4-dihydro-2,4(1H)-isoquinolinedicarboxylate, identified by its CAS number 936829-00-4, is a chemical compound that belongs to the class of isoquinoline derivatives. This substance typically features a bicyclic structure that includes a dihydroisoquinoline moiety, which is characterized by its fused ring system. The presence of two carboxylate groups in the molecule suggests potential for forming salts or esters, enhancing its reactivity and solubility in various solvents. The tert-butyl group (1,1-dimethylethyl) contributes to the compound's steric bulk, which can influence its biological activity and interactions with other molecules. Such compounds are often studied for their potential pharmacological properties, including anti-inflammatory or analgesic effects. Additionally, the structural features may allow for various synthetic modifications, making it a candidate for further research in medicinal chemistry. Overall, this compound exemplifies the complexity and diversity of organic molecules used in drug development and chemical research.
Formula:C15H19NO4
InChI:InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-10-6-4-5-7-11(10)12(9-16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI key:InChIKey=WMNIWMKVBYZQNH-UHFFFAOYSA-N
SMILES:C(O)(=O)C1C=2C(CN(C(OC(C)(C)C)=O)C1)=CC=CC2
Synonyms:
  • 2,4(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester
  • 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
  • 2-(1,1-Dimethylethyl) 3,4-dihydro-2,4(1H)-isoquinolinedicarboxylate
  • 2-[(tert-Butoxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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