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CAS 754226-36-3

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Methyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanoate

Description:
Methyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanoate is a chemical compound characterized by its complex structure, which includes a fluorine atom, a propanoate group, and a boron-containing dioxaborolane moiety. This compound is typically used in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in various chemical reactions, such as Suzuki coupling. The presence of the fluorine atom can enhance the compound's lipophilicity and biological activity, while the dioxaborolane group serves as a versatile boron source, facilitating further functionalization. The compound is likely to exhibit moderate to high stability under standard conditions, but specific reactivity can depend on the surrounding environment and the presence of other reagents. Safety data sheets should be consulted for handling and storage guidelines, as compounds containing boron and fluorine can pose specific hazards. Overall, this compound exemplifies the intricate design often found in modern synthetic chemistry.
Formula:C16H22BFO4
InChI:InChI=1S/C16H22BFO4/c1-15(2)16(3,4)22-17(21-15)12-7-8-13(18)11(10-12)6-9-14(19)20-5/h7-8,10H,6,9H2,1-5H3
InChI key:InChIKey=IGNMOTFQAPIYRG-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(CCC(OC)=O)=C(F)C=C2
Synonyms:
  • Benzenepropanoic acid, 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • Methyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenepropanoate
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