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CAS 1198615-85-8

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

Description:
Ethyl 4-fluoro-3-(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. The presence of the fluorine atom introduces unique electronic properties, potentially enhancing reactivity and influencing the compound's behavior in various chemical reactions. The dioxaborolane group is notable for its ability to participate in boron chemistry, making this compound useful in synthetic organic chemistry, particularly in the formation of carbon-boron bonds. This compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its solubility in organic solvents suggests potential applications in pharmaceuticals or agrochemicals. Additionally, the presence of the ethyl ester group may impart favorable characteristics for biological activity. As with many organofluorine compounds, it may exhibit unique properties such as increased lipophilicity, which can affect its interaction with biological systems. Safety and handling precautions should be observed due to the potential hazards associated with fluorinated compounds and boron-containing substances.
Formula:C15H20BFO4
InChI:InChI=1S/C15H20BFO4/c1-6-19-13(18)10-7-8-12(17)11(9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3
InChI key:InChIKey=NMOAKKRHLQTTNX-UHFFFAOYSA-N
SMILES:FC=1C(=CC(C(OCC)=O)=CC1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Ethyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • Benzoic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
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