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CAS 1220219-51-1

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2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile

Description:
2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile is an organic compound characterized by its unique structure, which includes a fluorobenzene moiety and a dioxaborolane group. The presence of the fluorine atom enhances its reactivity and can influence its electronic properties, making it useful in various chemical applications, including medicinal chemistry and materials science. The dioxaborolane group contributes to its potential as a boron-containing compound, which can be significant in cross-coupling reactions and as a building block in organic synthesis. This compound is likely to exhibit moderate solubility in organic solvents, and its stability may be influenced by the steric hindrance provided by the tetramethyl groups. Additionally, the nitrile functional group (acetonitrile) can impart polar characteristics, affecting its interactions in different environments. Overall, this compound's unique combination of functional groups makes it a valuable candidate for further research and application in synthetic chemistry.
Formula:C14H17BFNO2
InChI:InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)11-5-6-12(16)10(9-11)7-8-17/h5-6,9H,7H2,1-4H3
InChI key:InChIKey=CSDHDGHUGRKMNQ-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(CC#N)=C(F)C=C2
Synonyms:
  • Benzeneacetonitrile, 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-[2-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
  • 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile
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