CAS 1638765-20-4

1,1-Dimethylethyl 3,4-dihydro-6-hydroxy-1,1-dimethyl-2(1H)-isoquinolinecarboxylate

Description:

1,1-Dimethylethyl 3,4-dihydro-6-hydroxy-1,1-dimethyl-2(1H)-isoquinolinecarboxylate, identified by its CAS number 1638765-20-4, is a chemical compound that belongs to the class of isoquinoline derivatives. This substance features a complex molecular structure characterized by the presence of a dimethyl group and a carboxylate functional group, which contribute to its chemical reactivity and potential biological activity. The hydroxy group indicates the presence of alcohol functionality, which can influence solubility and interaction with biological systems. The compound's isoquinoline core suggests potential applications in medicinal chemistry, as isoquinolines are known for their diverse pharmacological properties. Additionally, the presence of the tert-butyl group may enhance lipophilicity, affecting the compound's distribution in biological systems. Overall, this compound's unique structural features may provide avenues for research in drug development and other chemical applications, although specific biological activities and properties would require further investigation through empirical studies.

Formula: C₁₆H₂₃NO₃

InChI: InChI=1S/C16H23NO3/c1-15(2,3)20-14(19)17-9-8-11-10-12(18)6-7-13(11)16(17,4)5/h6-7,10,18H,8-9H2,1-5H3

InChI key: InChIKey=HJRVKJMAOHLICV-UHFFFAOYSA-N

SMILES: CC1(C)C=2C(CCN1C(OC(C)(C)C)=O)=CC(O)=CC2

Synonyms:

• 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-hydroxy-1,1-dimethyl-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3,4-dihydro-6-hydroxy-1,1-dimethyl-2(1H)-isoquinolinecarboxylate