CAS 928847-00-1

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

Description:

3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine 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 (-NO2) indicates that the compound may exhibit electrophilic properties, making it potentially reactive in various chemical reactions. The boron-containing dioxaborolane group contributes to its stability and solubility in organic solvents, while also providing potential for further functionalization in synthetic applications. This compound may be utilized in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to participate in cross-coupling reactions, such as Suzuki coupling, which is valuable for constructing complex organic molecules. Additionally, the presence of the amine group (-NH2) suggests that it can act as a nucleophile, further enhancing its reactivity. Overall, this compound's unique structural features make it a candidate for various applications in organic synthesis and material science.

Formula: C₁₂H₁₇BN₂O₄

InChI: InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)9-6-5-8(14)7-10(9)15(16)17/h5-7H,14H2,1-4H3

InChI key: InChIKey=PPNKEBXUGYDCLG-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C=CC(N)=C1)B2OC(C)(C)C(C)(C)O2

Synonyms:

• Benzenamine, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
• 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine
• 3-Nitro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine