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CAS 397864-14-1

:

tert-butyl 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Description:
Tert-butyl 5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate is a chemical compound characterized by its isoquinoline structure, which features a fused bicyclic system. This compound contains a tert-butyl ester group, contributing to its lipophilicity and potential solubility in organic solvents. The presence of a nitro group at the 5-position of the isoquinoline ring introduces electron-withdrawing characteristics, which can influence its reactivity and biological activity. The carboxylate functional group is typically involved in various chemical reactions, including esterification and amidation. This compound may exhibit interesting pharmacological properties due to its structural features, making it a subject of interest in medicinal chemistry. Its molecular structure suggests potential applications in drug development, particularly in the synthesis of bioactive molecules. As with many organic compounds, its stability, reactivity, and interactions with biological systems would depend on specific conditions such as pH, temperature, and the presence of other reagents or solvents.
Formula:C14H18N2O4
InChI:InChI=1/C14H18N2O4/c1-14(2,3)20-13(17)15-8-7-11-10(9-15)5-4-6-12(11)16(18)19/h4-6H,7-9H2,1-3H3
SMILES:CC(C)(C)OC(=O)N1CCc2c(cccc2N(=O)=O)C1
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