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CAS 1198615-88-1

:

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

Description:
Ethyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group and a fluorinated aromatic ring. The presence of the 4-fluoro substituent enhances its reactivity and potential applications in medicinal chemistry and materials science. The dioxaborolane moiety contributes to its stability and solubility in organic solvents, making it suitable for various synthetic applications, including cross-coupling reactions in organic synthesis. This compound is likely to exhibit moderate to high lipophilicity due to the presence of the ethyl group and the aromatic system, which can influence its biological activity and interaction with other molecules. Additionally, the steric bulk provided by the tetramethyl groups may affect its reactivity and selectivity in chemical reactions. Overall, this compound represents a valuable intermediate in the synthesis of more complex organic molecules, particularly in the development of pharmaceuticals and agrochemicals.
Formula:C16H22BFO4
InChI:InChI=1S/C16H22BFO4/c1-6-20-14(19)10-11-7-8-13(18)12(9-11)17-21-15(2,3)16(4,5)22-17/h7-9H,6,10H2,1-5H3
InChI key:InChIKey=BHCZXEKKIGVXRO-UHFFFAOYSA-N
SMILES:FC=1C(B2OC(C)(C)C(C)(C)O2)=CC(CC(OCC)=O)=CC1
Synonyms:
  • Ethyl 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate
  • Benzeneacetic acid, 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
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