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CAS 1218789-59-3

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Methyl 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Methyl 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety and a dioxaborolane group. This compound features a methyl ester functional group, which typically enhances its solubility in organic solvents and may influence its reactivity in various chemical reactions. The presence of the dioxaborolane unit suggests potential applications in boron chemistry, particularly in cross-coupling reactions, as boron-containing compounds are often utilized in organic synthesis. The branched alkoxy group (2-methylpropoxy) contributes to the compound's steric properties, potentially affecting its reactivity and interaction with other molecules. Overall, this compound may exhibit interesting chemical behavior due to its unique functional groups, making it a candidate for research in synthetic organic chemistry and materials science. However, specific physical properties such as boiling point, melting point, and solubility would require empirical data for precise characterization.
Formula:C18H27BO5
InChI:InChI=1S/C18H27BO5/c1-12(2)11-22-15-9-13(16(20)21-7)8-14(10-15)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3
InChI key:InChIKey=KTHUYYIYKYRAHX-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CC(OCC(C)C)=C2
Synonyms:
  • Methyl 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 3-(2-methylpropoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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