CAS 128073-42-7

3-Ethyl 2-methyl octahydro-6-oxo-2,3(1H)-isoquinolinedicarboxylate

Description:

3-Ethyl 2-methyl octahydro-6-oxo-2,3(1H)-isoquinolinedicarboxylate, with the CAS number 128073-42-7, is a chemical compound characterized by its complex bicyclic structure, which includes an isoquinoline framework. This compound features multiple functional groups, including ester and ketone functionalities, contributing to its reactivity and potential applications in organic synthesis. The presence of ethyl and methyl substituents indicates that it has branched alkyl groups, which can influence its physical properties such as solubility and boiling point. Typically, compounds of this nature may exhibit biological activity, making them of interest in medicinal chemistry. The octahydro structure suggests that it is a saturated compound, which may enhance its stability compared to unsaturated analogs. Additionally, the presence of carboxylate groups implies potential for hydrogen bonding and interactions with biological macromolecules. Overall, this compound's unique structural features may lend it utility in various chemical applications, including pharmaceuticals and agrochemicals.

Formula: C₁₄H₂₁NO₅

InChI: InChI=1S/C14H21NO5/c1-3-20-13(17)12-7-10-6-11(16)5-4-9(10)8-15(12)14(18)19-2/h9-10,12H,3-8H2,1-2H3

InChI key: InChIKey=HAEQCUWBOVQMOJ-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1N(C(OC)=O)CC2C(C1)CC(=O)CC2

Synonyms:

• 3-Ethyl 2-methyl octahydro-6-oxo-2,3(1H)-isoquinolinedicarboxylate
• 3-Ethyl 2-methyl 6-oxooctahydroisoquinoline-2,3(1H)-dicarboxylate
• 2,3(1H)-Isoquinolinedicarboxylic acid, octahydro-6-oxo-, 3-ethyl 2-methyl ester