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CAS 474709-72-3

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

Description:
Ethyl 2-fluoro-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. The presence of a fluorine atom at the ortho position of the benzoate ring enhances its reactivity and potential applications in medicinal chemistry and material science. The dioxaborolane group contributes to the compound's stability and solubility in various organic solvents, making it suitable for use in synthetic organic chemistry, particularly in cross-coupling reactions. This compound may exhibit unique properties such as selective reactivity and the ability to form stable complexes with certain metal catalysts. Its molecular structure suggests potential applications in drug development, agrochemicals, and as a building block in organic synthesis. Additionally, the presence of the ethyl ester group may influence its biological activity and solubility profile, making it a candidate for further investigation in various chemical and pharmaceutical applications.
Formula:C15H20BFO4
InChI:InChI=1S/C15H20BFO4/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=TXGGQXPDCQECLR-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(F)=C(C(OCC)=O)C=C2
Synonyms:
  • 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid ethyl ester
  • Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
  • Ethyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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