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CAS 885681-94-7

:

Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate

Description:
Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate, identified by its CAS number 885681-94-7, is an organic compound characterized by its complex structure that includes both aromatic and boron-containing moieties. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in cross-coupling reactions, due to the reactivity of boron in forming organoboron compounds. This compound features an ester functional group, which typically enhances its solubility in organic solvents and may influence its reactivity in various chemical processes. The methyl and aromatic substituents contribute to its overall hydrophobic character, while the boron atom can participate in coordination chemistry. Additionally, the compound's structure may impart specific electronic properties, making it of interest in materials science and medicinal chemistry. Overall, this compound exemplifies the intersection of organic synthesis and functional group chemistry, with potential applications in various fields, including pharmaceuticals and agrochemicals.
Formula:C16H23BO4
InChI:InChI=1S/C16H23BO4/c1-11-9-12(10-14(18)19-6)7-8-13(11)17-20-15(2,3)16(4,5)21-17/h7-9H,10H2,1-6H3
InChI key:InChIKey=KOHHRSVKOQMBHI-UHFFFAOYSA-N
SMILES:CC1=C(B2OC(C)(C)C(C)(C)O2)C=CC(CC(OC)=O)=C1
Synonyms:
  • 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid methyl ester
  • Methyl [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
  • Methyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
  • Benzeneacetic acid, 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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