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CAS 887254-78-6

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

Description:
Ethyl α,α-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group and a dioxaborolane moiety. This compound features a benzene ring substituted with an acetate group and a dimethyl group, contributing to its unique reactivity and solubility properties. The presence of the dioxaborolane group suggests potential applications in organic synthesis, particularly in reactions involving boron chemistry, such as cross-coupling reactions. The steric hindrance introduced by the tetramethyl groups may influence the compound's reactivity and stability, making it an interesting candidate for various chemical transformations. Additionally, the compound's solubility in organic solvents and its potential for functionalization can be advantageous in medicinal chemistry and materials science. Overall, this compound exemplifies the intricate interplay of functional groups that can be leveraged for specific chemical applications.
Formula:C18H27BO4
InChI:InChI=1S/C18H27BO4/c1-8-21-15(20)16(2,3)13-10-9-11-14(12-13)19-22-17(4,5)18(6,7)23-19/h9-12H,8H2,1-7H3
InChI key:InChIKey=TVNUJJLSKFGLOI-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(C(OCC)=O)(C)C)=CC=C2
Synonyms:
  • Benzeneacetic acid, α,α-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl α,α-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
  • Ethyl 2-methyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate
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