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CAS 1415960-55-2

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

Description:
Methyl α,α-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate is a synthetic organic compound characterized by its complex structure, which includes a difluorobenzene moiety and a boron-containing dioxaborolane group. The presence of the difluoromethyl group suggests potential applications in medicinal chemistry, particularly in the development of fluorinated pharmaceuticals, as fluorine can enhance metabolic stability and lipophilicity. The dioxaborolane unit is known for its utility in organic synthesis, particularly in cross-coupling reactions and as a boron source in various transformations. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its hydrophobic aromatic and fluorinated components. Its reactivity may be influenced by the electron-withdrawing nature of the fluorine atoms and the boron center, making it a valuable intermediate in the synthesis of more complex molecules. Safety data and handling precautions should be considered, as with any chemical substance, particularly those containing boron and fluorine.
Formula:C15H19BF2O4
InChI:InChI=1S/C15H19BF2O4/c1-13(2)14(3,4)22-16(21-13)11-8-6-10(7-9-11)15(17,18)12(19)20-5/h6-9H,1-5H3
InChI key:InChIKey=KNJUYOCPBWDNPQ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(C(C(OC)=O)(F)F)C=C2
Synonyms:
  • Methyl α,α-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
  • Benzeneacetic acid, α,α-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
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