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CAS 890839-10-8

:

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

Description:
Methyl α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate, identified by its CAS number 890839-10-8, is an organic compound characterized by its complex structure that includes a benzene ring substituted with an ester functional group and a boron-containing moiety. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in cross-coupling reactions and as a boron source in various chemical transformations. This compound is likely to exhibit moderate to low solubility in water, typical of many organic esters, while being more soluble in organic solvents. Its molecular structure may confer unique reactivity patterns, making it of interest in materials science and medicinal chemistry. Additionally, the presence of multiple methyl groups can influence its steric properties and overall stability. As with many boron-containing compounds, it may also exhibit interesting electronic properties, which could be leveraged in the development of new materials or catalysts. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.
Formula:C17H25BO4
InChI:InChI=1S/C17H25BO4/c1-15(2,14(19)20-7)12-8-10-13(11-9-12)18-21-16(3,4)17(5,6)22-18/h8-11H,1-7H3
InChI key:InChIKey=RAGWTXRTMGSMRC-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C(C(OC)=O)(C)C)C=C2
Synonyms:
  • 2-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]propionic acid methyl ester
  • Benzeneacetic acid, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
  • Methyl α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
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