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CAS 1134327-89-1

:

1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate

Description:
1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate, identified by its CAS number 1134327-89-1, is a chemical compound that features a complex structure typical of isoquinoline derivatives. This substance is characterized by the presence of a dimethyl group attached to a tert-butyl group, which contributes to its steric bulk and influences its reactivity and solubility. The compound contains a 3,4-dihydro-4-oxo isoquinoline moiety, indicating it has a bicyclic structure with a ketone functional group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. Its carboxylate ester functionality suggests potential for hydrolysis under acidic or basic conditions, leading to the release of the corresponding carboxylic acid. The compound may exhibit biological activity, making it of interest in medicinal chemistry, although specific biological properties would require further investigation. Overall, its unique structural features and functional groups make it a candidate for various applications in organic synthesis and pharmaceutical development.
Formula:C14H17NO3
InChI:InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-10-6-4-5-7-11(10)12(16)9-15/h4-7H,8-9H2,1-3H3
InChI key:InChIKey=VDWNRRPJKYCCHY-UHFFFAOYSA-N
SMILES:O=C1C=2C(CN(C(OC(C)(C)C)=O)C1)=CC=CC2
Synonyms:
  • 1,1-Dimethylethyl 3,4-dihydro-4-oxo-2(1H)-isoquinolinecarboxylate
  • 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
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