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CAS 1073355-18-6

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Methyl 2-(acetyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Description:
Methyl 2-(acetyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a chemical compound characterized by its complex structure, which includes a benzoate moiety and a dioxaborolane group. This compound features an acetoxy functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the dioxaborolane ring suggests that it may participate in boron-mediated reactions, such as Suzuki coupling, making it valuable in the synthesis of various organic compounds, particularly in the field of medicinal chemistry and materials science. Its molecular structure indicates that it may exhibit specific solubility properties, likely being soluble in organic solvents while having limited solubility in water. Additionally, the presence of multiple functional groups may influence its stability, reactivity, and interaction with other chemical species. As with many organic compounds, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.
Formula:C16H21BO6
InChI:InChI=1S/C16H21BO6/c1-10(18)21-13-9-11(7-8-12(13)14(19)20-6)17-22-15(2,3)16(4,5)23-17/h7-9H,1-6H3
InChI key:InChIKey=ZUWNUDWHBMLHSH-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(OC(C)=O)=C(C(OC)=O)C=C2
Synonyms:
  • Methyl 2-(acetyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 2-(acetyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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