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CAS 474709-76-7

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Ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety and a dioxaborolane group. This compound features a chlorine atom at the para position relative to the ester functional group, which can influence its reactivity and solubility. The presence of the dioxaborolane unit, known for its boron content, suggests potential applications in organic synthesis, particularly in cross-coupling reactions and as a boron source in various chemical transformations. The ethyl ester group contributes to its solubility in organic solvents, making it suitable for various chemical applications. Additionally, the bulky tetramethyl substituents on the dioxaborolane enhance steric hindrance, which can affect the compound's reactivity and selectivity in reactions. Overall, this compound is of interest in synthetic organic chemistry, particularly in the development of new methodologies for carbon-carbon bond formation.
Formula:C15H20BClO4
InChI:InChI=1S/C15H20BClO4/c1-6-19-13(18)11-8-7-10(9-12(11)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI key:InChIKey=GYLSDPPQNVGXBD-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(Cl)=C(C(OCC)=O)C=C2
Synonyms:
  • Benzoic acid, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • See more synonyms
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