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CAS 479411-96-6

:

3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Description:
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by the presence of a bromine atom and a cyano group attached to a benzene ring, along with a boron-containing dioxaborolane moiety. The compound features a complex structure that includes a dioxaborolane, which is known for its utility in organic synthesis, particularly in cross-coupling reactions. The presence of the bromine atom enhances its reactivity, making it a suitable candidate for various chemical transformations. The tetramethyl groups contribute to the steric bulk around the boron atom, influencing its reactivity and solubility. This compound is typically used in research and development, particularly in the fields of medicinal chemistry and materials science, due to its potential applications in the synthesis of more complex molecules. Its unique structural features allow for specific interactions in chemical reactions, making it a valuable building block in synthetic organic chemistry.
Formula:C13H15BBrNO2
InChI:InChI=1S/C13H15BBrNO2/c1-12(2)13(3,4)18-14(17-12)10-5-9(8-16)6-11(15)7-10/h5-7H,1-4H3
InChI key:InChIKey=RXYJIHWLAKWJTK-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C#N)=CC(Br)=C2
Synonyms:
  • 3-Bromo-5-cyanophenylboronic acid pinacol ester
  • 3-Bromo-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • Benzonitrile, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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