CAS 50458-79-2

3-Isoquinolinecarboxylic acid, ethyl ester

Description:

3-Isoquinolinecarboxylic acid, ethyl ester is an organic compound characterized by its isoquinoline structure, which is a bicyclic compound containing a fused benzene and pyridine ring. This compound features a carboxylic acid functional group that is esterified with an ethyl group, enhancing its solubility in organic solvents. It typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. The compound is known for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals due to its ability to interact with biological targets. Its molecular structure allows for various chemical modifications, making it a versatile intermediate in organic synthesis. Additionally, 3-Isoquinolinecarboxylic acid, ethyl ester may exhibit biological activities, including antimicrobial or anti-inflammatory properties, although specific activities can vary based on structural variations and substituents. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₁₂H₁₁NO₂

InChI: InChI=1S/C12H11NO2/c1-2-15-12(14)11-7-9-5-3-4-6-10(9)8-13-11/h3-8H,2H2,1H3

InChI key: InChIKey=IFSCYCNNAIADLI-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC2=C(C=N1)C=CC=C2

Synonyms:

• 3-Isoquinolinecarboxylic Acid, Ethyl Ester
• Ethyl 3-isoquinolinecarboxylate
• Ethyl isoquinoline-3-carboxylate

Ethyl 3-isoquinolinecarboxylate

CAS: 50458-79-2

Formula: C₁₂H₁₁NO₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 201.2212

Ref: IN-DA006YN2

Ethyl isoquinoline-3-carboxylate

CAS: 50458-79-2

Ethyl isoquinoline-3-carboxylate

Formula: C₁₂H₁₁NO₂

Purity: 97%

Color and Shape: brown low melting solid

Molecular weight: 201.22g/mol

Ref: 54-OR59951

Ethyl Isoquinoline-3-carboxylate

CAS: 50458-79-2

Formula: C₁₂H₁₁NO₂

Purity: 98%

Molecular weight: 201.225

Ref: 10-F067051