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CAS 871013-94-4

:

1,1-Dimethylethyl 5-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate

Description:
1,1-Dimethylethyl 5-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate, with the CAS number 871013-94-4, is a chemical compound characterized by its unique structure, which includes an isoindole core and a carboxylate functional group. This compound features a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its solubility and biological activity. The presence of a fluorine atom at the 5-position of the isoindole ring may impart specific electronic properties, affecting reactivity and interaction with biological targets. The dihydro form indicates that the compound may exist in a saturated state, which can influence its stability and reactivity. This compound may be of interest in medicinal chemistry due to its structural features, which could be relevant for drug development, particularly in targeting specific biological pathways. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally for practical applications.
Formula:C13H16FNO2
InChI:InChI=1S/C13H16FNO2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8H2,1-3H3
InChI key:InChIKey=MHVSCAYFSBZWDK-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC=2C(C1)=CC(F)=CC2
Synonyms:
  • 2H-Isoindole-2-carboxylic acid, 5-fluoro-1,3-dihydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 5-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate
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