CAS 1238846-45-1

3,4-Dimethyl 3,4-isoquinolinedicarboxylate

Description:

3,4-Dimethyl 3,4-isoquinolinedicarboxylate is a chemical compound characterized by its isoquinoline structure, which features a bicyclic aromatic system. This compound contains two carboxylate ester functional groups, contributing to its reactivity and potential applications in organic synthesis. The presence of two methyl groups at the 3 and 4 positions of the isoquinoline ring enhances its lipophilicity and may influence its biological activity. Typically, compounds of this nature are studied for their potential pharmacological properties, including anti-inflammatory and anticancer activities. The molecular structure allows for various substitution patterns, which can lead to diverse chemical behaviors. Additionally, the compound's solubility, stability, and reactivity can vary depending on the solvent and environmental conditions. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks. Overall, 3,4-Dimethyl 3,4-isoquinolinedicarboxylate represents a significant area of interest in medicinal chemistry and materials science.

Formula: C₁₃H₁₁NO₄

InChI: InChI=1S/C13H11NO4/c1-17-12(15)10-9-6-4-3-5-8(9)7-14-11(10)13(16)18-2/h3-7H,1-2H3

InChI key: InChIKey=LTJGFMPZFIXWNB-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C2=C(C=NC1C(OC)=O)C=CC=C2

Synonyms:

• 3,4-Isoquinolinedicarboxylic acid, 3,4-dimethyl ester
• 3,4-Dimethyl 3,4-isoquinolinedicarboxylate