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CAS 1035235-27-8

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1,1-Dimethylethyl 4-bromo-1,3-dihydro-2H-isoindole-2-carboxylate

Description:
1,1-Dimethylethyl 4-bromo-1,3-dihydro-2H-isoindole-2-carboxylate is a chemical compound characterized by its unique structure, which includes a bromo substituent and an isoindole moiety. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and reactivity in organic solvents. The isoindole structure contributes to its aromatic properties, which may affect its electronic characteristics and stability. This compound is likely to exhibit moderate to high reactivity due to the presence of the carboxylate functional group, which can participate in various chemical reactions, including esterification and nucleophilic substitutions. Its bromine atom may also serve as a site for further functionalization, making it a versatile intermediate in organic synthesis. Additionally, the compound's potential biological activity could be explored, given the structural motifs often associated with pharmacological properties. Overall, this compound's characteristics make it of interest in both synthetic organic chemistry and potential medicinal applications.
Formula:C13H16BrNO2
InChI:InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-9-5-4-6-11(14)10(9)8-15/h4-6H,7-8H2,1-3H3
InChI key:InChIKey=BFCZVUVSPUKWET-UHFFFAOYSA-N
SMILES:BrC1=C2C(CN(C(OC(C)(C)C)=O)C2)=CC=C1
Synonyms:
  • 4-Bromoisoindoline-2-carboxylic acid tert-butyl ester
  • 1,1-Dimethylethyl 4-bromo-1,3-dihydro-2H-isoindole-2-carboxylate
  • 2H-Isoindole-2-carboxylic acid, 4-bromo-1,3-dihydro-, 1,1-dimethylethyl ester
  • tert-Butyl 4-bromo-1,3-dihydro-2H-isoindole-2-carboxylate
  • tert-Butyl 4-bromoisoindoline-2-carboxylate
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