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CAS 1402166-72-6

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4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]benzonitrile

Description:
4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]benzonitrile is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a benzonitrile moiety. The presence of the dioxaborolane group contributes to its potential reactivity, particularly in cross-coupling reactions, making it of interest in organic synthesis and materials science. This compound is likely to exhibit properties typical of organoboron compounds, such as moderate solubility in organic solvents and stability under ambient conditions. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the bioactive nature of the pyrazole and nitrile functionalities. Additionally, the tetramethyl groups may enhance lipophilicity, influencing its biological activity and interaction with biological targets. Overall, this compound represents a versatile building block for further chemical transformations and applications in various fields, including agrochemicals and polymer science.
Formula:C16H18BN3O2
InChI:InChI=1S/C16H18BN3O2/c1-15(2)16(3,4)22-17(21-15)13-10-19-20(11-13)14-7-5-12(9-18)6-8-14/h5-8,10-11H,1-4H3
InChI key:InChIKey=ZTSAIKWBNYCVCE-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CN(N=C2)C3=CC=C(C#N)C=C3
Synonyms:
  • 4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]benzonitrile
  • Benzonitrile, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
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