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CAS 380430-66-0

:

2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione

Description:
2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione, with CAS number 380430-66-0, is a chemical compound that features a complex structure incorporating both a dioxaborolane moiety and an isoindoline-1,3-dione framework. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in cross-coupling reactions, due to its ability to participate in boron-mediated transformations. The isoindoline-1,3-dione part of the molecule contributes to its potential biological activity, as isoindoline derivatives are often explored for their pharmacological properties. This compound is likely to exhibit moderate to high lipophilicity due to the bulky tetramethyl groups, which may influence its solubility and permeability characteristics. Additionally, the presence of multiple functional groups may allow for further derivatization, making it a versatile building block in medicinal chemistry and materials science. Overall, this compound represents a unique combination of structural features that could be of interest in various chemical research fields.
Formula:C21H22BNO4
InChI:InChI=1S/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)17-12-8-5-9-14(17)13-23-18(24)15-10-6-7-11-16(15)19(23)25/h5-12H,13H2,1-4H3
InChI key:InChIKey=HXXPHCDZEYKJQR-UHFFFAOYSA-N
SMILES:C(C1=C(B2OC(C)(C)C(C)(C)O2)C=CC=C1)N3C(=O)C=4C(C3=O)=CC=CC4
Synonyms:
  • 1H-Isoindole-1,3(2H)-dione, 2-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-
  • 2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]isoindoline-1,3-dione
  • 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1H-isoindole-1,3(2H)-dione
  • 2-[[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1H-isoindole-1,3(2H)-dione
  • 2-[[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione
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