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CAS 1218789-57-1

:

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

Description:
Methyl 3-(1-methylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, identified by its CAS number 1218789-57-1, is an organic compound characterized by its complex structure, which includes a benzoate moiety and a boron-containing 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 organoboron chemistry, particularly in cross-coupling reactions, which are valuable in synthetic organic chemistry. The branched alkoxy group contributes to its steric properties, potentially affecting its reactivity and interaction with other molecules. Overall, this compound may serve as an important intermediate in the synthesis of more complex organic molecules, particularly in the development of pharmaceuticals or agrochemicals, where boron-containing compounds are often utilized for their unique reactivity and properties.
Formula:C17H25BO5
InChI:InChI=1S/C17H25BO5/c1-11(2)21-14-9-12(15(19)20-7)8-13(10-14)18-22-16(3,4)17(5,6)23-18/h8-11H,1-7H3
InChI key:InChIKey=NGEZKHKRAGECFG-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(OC)=O)=CC(OC(C)C)=C2
Synonyms:
  • Benzoic acid, 3-(1-methylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 3-(1-methylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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