Ethyl 3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate

• CAT Number: L019203
• CAS Number: 105340-73-6
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.25
• Purity: ≥95%
• IUPAC Name: ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate
• InChI: InChI=1S/C12H15NO3/c1-2-16-12(15)10-9-6-4-3-5-8(9)7-13-11(10)14/h7H,2-6H2,1H3,(H,13,14)
• InChIKey: PEDZYRCOCXYBFM-UHFFFAOYSA-N
• SMILES: CCOC(=O)C1=C2CCCCC2=CNC1=O

Ethyl 3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate(CAT: L019203) is a bicyclic nitrogen-containing compound featuring a partially saturated isoquinoline core substituted with a ketone at the 3-position and an ethyl ester at the 4-position. This compound is a valuable intermediate in medicinal chemistry, particularly for synthesizing isoquinoline-based bioactive molecules such as CNS agents, analgesics, and antihypertensives. The combination of electrophilic ketone and ester functionalities enables diverse chemical modifications, including condensation, reduction, and amidation.