CAS 1320747-35-0

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

Description:

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyrazinone is a chemical compound characterized by its unique structure, which includes a pyrazinone moiety and a boron-containing dioxaborolane group. The presence of the dioxaborolane enhances its reactivity, particularly in cross-coupling reactions, making it valuable in organic synthesis and medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in the development of pharmaceuticals, agrochemicals, or as a building block in materials science. The presence of the tetramethyl groups contributes to its steric bulk, which can influence its reactivity and interactions with other molecules. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Overall, this compound represents a versatile intermediate in synthetic chemistry, with potential implications in various fields.

Formula: C₁₀H₁₅BN₂O₃

InChI: InChI=1S/C10H15BN2O3/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(14)6-12-7/h5-6H,1-4H3,(H,13,14)

InChI key: InChIKey=JNDHUVFYMHBTNK-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CNC(=O)C=N2

Synonyms:

• 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-pyrazinone
• 2(1H)-Pyrazinone, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-