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CAS 1093307-35-7

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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetonitrile

Description:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetonitrile is a chemical compound characterized by its unique structural features, which include a pyrazole ring and a dioxaborolane moiety. The presence of the dioxaborolane group suggests potential applications in organoboron chemistry, particularly in cross-coupling reactions and as a reagent in organic synthesis. The compound's acetonitrile functional group indicates that it may exhibit polar characteristics, which can influence its solubility and reactivity. Additionally, the tetramethyl substituents contribute to steric hindrance, potentially affecting the compound's reactivity and interactions with other molecules. This compound may be of interest in medicinal chemistry and materials science due to its potential biological activity and utility in the development of new synthetic methodologies. As with many boron-containing compounds, it may also exhibit unique optical or electronic properties, making it a candidate for further research in various fields of chemistry.
Formula:C11H16BN3O2
InChI:InChI=1S/C11H16BN3O2/c1-10(2)11(3,4)17-12(16-10)9-7-14-15(8-9)6-5-13/h7-8H,6H2,1-4H3
InChI key:InChIKey=LBHVFQPLKQHEQF-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CN(CC#N)N=C2
Synonyms:
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-acetonitrile
  • 2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetonitrile
  • 1H-Pyrazole-1-acetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 2-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetonitrile
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