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CAS 1218791-27-5

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

Description:
4-Nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is an organic compound characterized by its complex structure, which includes a nitro group and a boron-containing moiety. The presence of the nitro group typically imparts electron-withdrawing properties, influencing the compound's reactivity and polarity. The dioxaborolane unit contributes to the compound's potential as a boron reagent, often utilized in organic synthesis and medicinal chemistry for its ability to participate in various reactions, such as Suzuki coupling. This compound is likely to be a solid at room temperature, with solubility influenced by the presence of polar functional groups. Its molecular structure suggests potential applications in materials science and pharmaceuticals, particularly in the development of novel compounds with specific electronic or optical properties. Safety data and handling precautions should be observed, as compounds containing nitro groups can be sensitive and potentially hazardous. Overall, this compound exemplifies the intersection of organic chemistry and materials science, showcasing the utility of boron-containing compounds in synthetic applications.
Formula:C13H15BN2O4
InChI:InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-9(8-15)5-6-11(10)16(17)18/h5-7H,1-4H3
InChI key:InChIKey=XGIWPDLRNUKSKD-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C=C(C#N)C=C1)B2OC(C)(C)C(C)(C)O2
Synonyms:
  • 4-Nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • Benzonitrile, 4-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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