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CAS 1638847-77-4

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Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester

Description:
Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, identified by CAS number 1638847-77-4, is an organic compound characterized by the presence of a benzoic acid moiety modified with a fluorine atom and a boron-containing group. The structure features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its reactivity. The presence of the 4,4,5,5-tetramethyl-1,3,2-dioxaborolane moiety suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions or as a reagent in synthetic organic chemistry. The fluorine substitution can impart unique electronic properties, potentially affecting the compound's reactivity and interaction with biological systems. Overall, this compound may be of interest in various fields, including medicinal chemistry and materials science, due to its unique structural features and potential applications in synthesis and catalysis.
Formula:C14H18BFO4
InChI:InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-8-6-7-9(11(10)16)12(17)18-5/h6-8H,1-5H3
InChI key:InChIKey=LKZMOGYZLFRTQN-UHFFFAOYSA-N
SMILES:FC1=C(C=CC=C1C(OC)=O)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
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