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CAS 863868-35-3

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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzenedicarbonitrile

Description:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzenedicarbonitrile, with CAS number 863868-35-3, is an organic compound characterized by its unique structural features. It contains a dioxaborolane moiety, which contributes to its reactivity and potential applications in organic synthesis, particularly in the formation of carbon-boron bonds. The presence of the benzenedicarbonitrile group indicates that it has two cyano (-CN) functional groups, which can enhance its electronic properties and solubility in polar solvents. This compound is likely to exhibit properties such as moderate stability under standard conditions, potential for coordination with metal ions, and utility in various chemical reactions, including cross-coupling reactions. Its molecular structure suggests it may be used in the development of materials or pharmaceuticals, particularly in fields that leverage boron chemistry. As with many boron-containing compounds, it may also exhibit interesting optical or electronic properties, making it a candidate for research in advanced materials or organic electronics.
Formula:C14H15BN2O2
InChI:InChI=1S/C14H15BN2O2/c1-13(2)14(3,4)19-15(18-13)12-6-5-10(8-16)7-11(12)9-17/h5-7H,1-4H3
InChI key:InChIKey=KJXDOCVYTWZFRJ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C=CC(C#N)=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzenedicarbonitrile
  • 1,3-Benzenedicarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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