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CAS 912846-67-4

:

1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate

Description:
1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate, with the CAS number 912846-67-4, is a chemical compound that belongs to the class of isoquinoline derivatives. This substance features a complex structure characterized by a nitro group, a fluoro substituent, and an ester functional group. The presence of the dimethyl group contributes to its steric properties, potentially influencing its reactivity and interactions with biological targets. The isoquinoline core is known for its diverse pharmacological activities, making compounds of this type of interest in medicinal chemistry. The nitro group may enhance the compound's lipophilicity and affect its electronic properties, which can be crucial for biological activity. Additionally, the fluoro substituent can improve metabolic stability and bioavailability. Overall, this compound's unique structural features suggest potential applications in drug development, particularly in areas targeting specific biological pathways or conditions. However, detailed studies on its biological activity, toxicity, and pharmacokinetics would be necessary to fully understand its potential uses.
Formula:C14H17FN2O4
InChI:InChI=1S/C14H17FN2O4/c1-14(2,3)21-13(18)16-5-4-9-7-12(17(19)20)11(15)6-10(9)8-16/h6-7H,4-5,8H2,1-3H3
InChI key:InChIKey=IVCDFWVDZIWGOZ-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C=C2C(CN(C(OC(C)(C)C)=O)CC2)=CC1F
Synonyms:
  • 1,1-Dimethylethyl 7-fluoro-3,4-dihydro-6-nitro-2(1H)-isoquinolinecarboxylate
  • 2(1H)-Isoquinolinecarboxylic acid, 7-fluoro-3,4-dihydro-6-nitro-, 1,1-dimethylethyl ester
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