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CAS 603122-52-7

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

Description:
Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, identified by CAS number 603122-52-7, is an organic compound that features a benzoic acid core modified with a fluorine atom and a boron-containing moiety. This compound exhibits characteristics typical of esters, including a pleasant odor and relatively low volatility. The presence of the fluorine atom can enhance its reactivity and influence its solubility in various solvents. The dioxaborolane group contributes to its potential applications in organic synthesis, particularly in cross-coupling reactions and as a boron source in various chemical transformations. Additionally, the sterically hindered tetramethyl groups may affect the compound's reactivity and stability. Overall, this compound is of interest in medicinal chemistry and materials science due to its unique structural features and potential utility in synthetic pathways. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C14H18BFO4
InChI:InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(11(16)8-9)12(17)18-5/h6-8H,1-5H3
InChI key:KWUUXUUPAMIRBW-UHFFFAOYSA-N
SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)OC)F
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