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CAS 775351-55-8

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

Description:
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile, with CAS number 775351-55-8, is an organic compound characterized by its complex structure that includes a methoxy group, a benzene ring, and a nitrile functional group. The presence of the dioxaborolane moiety suggests that it may have applications in organoboron chemistry, particularly in cross-coupling reactions, which are valuable in synthetic organic chemistry. This compound is likely to exhibit moderate polarity due to the methoxy and nitrile groups, influencing its solubility in various organic solvents. Additionally, the tetramethyl substitution on the dioxaborolane enhances its stability and steric hindrance, which can affect its reactivity. The compound may also possess interesting electronic properties due to the conjugation between the aromatic system and the nitrile group, potentially making it useful in materials science or as a building block in the synthesis of more complex molecules. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper laboratory practices.
Formula:C15H20BNO3
InChI:InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)12-6-7-13(18-5)11(10-12)8-9-17/h6-7,10H,8H2,1-5H3
InChI key:InChIKey=PZTLNFIMQWQLBK-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(CC#N)=C(OC)C=C2
Synonyms:
  • 2-[2-Methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
  • Benzeneacetonitrile, 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
  • 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile
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