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CAS 1624261-08-0

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2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-6-nitro-, 1,1-dimethylethyl ester

Description:
2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-6-nitro-, 1,1-dimethylethyl ester is a chemical compound characterized by its isoindole structure, which features a bicyclic framework consisting of a benzene ring fused to a five-membered nitrogen-containing ring. The presence of a carboxylic acid moiety indicates potential acidity, while the ester functional group suggests it can undergo hydrolysis to release the corresponding acid. The bromine and nitro substituents introduce significant electronegative elements, which can influence the compound's reactivity and polarity. This compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry. Its molecular interactions could be affected by the bulky tert-butyl ester group, which may enhance lipophilicity and affect solubility in organic solvents. Overall, this compound's unique combination of functional groups and structural characteristics positions it as a potentially valuable entity in synthetic organic chemistry and pharmacological research.
Formula:C13H15BrN2O4
InChI:InChI=1S/C13H15BrN2O4/c1-13(2,3)20-12(17)15-6-8-4-10(14)11(16(18)19)5-9(8)7-15/h4-5H,6-7H2,1-3H3
InChI key:InChIKey=XWPGGVJFQIZPPI-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1CC=2C(C1)=CC(Br)=C(N(=O)=O)C2
Synonyms:
  • 1,1-Dimethylethyl 5-bromo-1,3-dihydro-6-nitro-2H-isoindole-2-carboxylate
  • 2H-Isoindole-2-carboxylic acid, 5-bromo-1,3-dihydro-6-nitro-, 1,1-dimethylethyl ester
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