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CAS 1218789-53-7

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Ethyl 2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate

Description:
Ethyl 2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate is a chemical compound characterized by its complex structure, which includes an ethyl acetate moiety and a phenoxy group substituted with a bromine atom and a boron-containing dioxaborolane. The presence of the bromine atom suggests potential reactivity in nucleophilic substitution reactions, while the dioxaborolane group may facilitate further chemical transformations, particularly in organoboron chemistry. This compound is likely to be a solid at room temperature, exhibiting moderate solubility in organic solvents due to its polar and nonpolar functional groups. Its synthesis may involve multi-step organic reactions, including halogenation and boron complexation. The compound's unique structure makes it of interest in various fields, including medicinal chemistry and materials science, where it could serve as a building block for more complex molecules or as a reagent in synthetic pathways. Safety and handling precautions should be observed due to the presence of bromine and potential reactivity associated with boron compounds.
Formula:C16H22BBrO5
InChI:InChI=1S/C16H22BBrO5/c1-6-20-14(19)10-21-13-8-11(7-12(18)9-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6,10H2,1-5H3
InChI key:InChIKey=HPHRPAOKTKCCHZ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(OCC(OCC)=O)=CC(Br)=C2
Synonyms:
  • Ethyl 2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
  • Acetic acid, 2-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester
  • 3-BroMo-5-(ethoxycarbonylMethoxy)phenylboronic acid, pinacol ester
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