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CAS 1309980-15-1

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3-Nitro-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Description:
3-Nitro-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is a chemical compound characterized by its complex structure, which includes a nitro group, a phenyl group, and a dioxaborolane moiety. The presence of the nitro group typically imparts electrophilic characteristics, making the compound potentially reactive in various chemical reactions, such as nucleophilic substitutions. The dioxaborolane unit is known for its ability to participate in boron-mediated reactions, including cross-coupling reactions, which are valuable in organic synthesis. This compound may exhibit solubility in organic solvents, and its stability can be influenced by the substituents on the aromatic rings. Additionally, the presence of the tetramethyl groups in the dioxaborolane enhances steric hindrance, which can affect the reactivity and interaction of the compound with other molecules. Overall, this compound's unique structural features suggest potential applications in medicinal chemistry and materials science, particularly in the development of new synthetic methodologies.
Formula:C19H21BN2O5
InChI:InChI=1S/C19H21BN2O5/c1-18(2)19(3,4)27-20(26-18)14-10-13(11-16(12-14)22(24)25)17(23)21-15-8-6-5-7-9-15/h5-12H,1-4H3,(H,21,23)
InChI key:InChIKey=KSKXAUWSUIJJNE-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(NC3=CC=CC=C3)=O)=CC(N(=O)=O)=C2
Synonyms:
  • Benzamide, 3-nitro-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Nitro-N-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
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