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CAS 441065-34-5

:

1,1-Dimethylethyl 3,4-dihydro-5-(hydroxymethyl)-2(1H)-isoquinolinecarboxylate

Description:
1,1-Dimethylethyl 3,4-dihydro-5-(hydroxymethyl)-2(1H)-isoquinolinecarboxylate, identified by its CAS number 441065-34-5, is a chemical compound that belongs to the class of isoquinoline derivatives. This substance features a complex structure characterized by a bicyclic isoquinoline framework, which is further substituted with a hydroxymethyl group and an ester functional group. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, potentially influencing its reactivity and solubility. The hydroxymethyl group may impart polar characteristics, enhancing its solubility in polar solvents. This compound may exhibit biological activity, making it of interest in medicinal chemistry and pharmacology. Its specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in a laboratory setting.
Formula:C15H21NO3
InChI:InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-7-13-11(9-16)5-4-6-12(13)10-17/h4-6,17H,7-10H2,1-3H3
InChI key:InChIKey=FFIPQWOPKSEGKY-UHFFFAOYSA-N
SMILES:C(O)C1=C2C(CN(C(OC(C)(C)C)=O)CC2)=CC=C1
Synonyms:
  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • 5-Hydroxymethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 3,4-dihydro-5-(hydroxymethyl)-2(1H)-isoquinolinecarboxylate
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