CAS 2230701-73-0

1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline

Description:

1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline is an organic compound characterized by its isoquinoline core structure, which is a bicyclic compound containing a benzene ring fused to a pyridine ring. The presence of the 1-methyl group enhances its lipophilicity, potentially influencing its solubility and biological activity. The dioxaborolane moiety introduces boron into the structure, which can facilitate various chemical reactions, including Suzuki coupling, making it valuable in synthetic organic chemistry. This compound may exhibit unique properties due to the steric bulk of the tetramethyl groups, which can affect its reactivity and interaction with other molecules. Additionally, the boron-containing group can impart specific electronic characteristics, potentially making it useful in materials science or medicinal chemistry. Overall, the combination of these functional groups suggests that this compound could have applications in drug development or as a building block in organic synthesis. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₁₆H₂₀BNO₂

InChI: InChI=1S/C16H20BNO2/c1-11-14-7-6-13(10-12(14)8-9-18-11)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3

InChI key: InChIKey=XECGMDQWEWRPJI-UHFFFAOYSA-N

SMILES: CC1(C)OB(OC1(C)C)C2=CC3=C(C=C2)C(C)=NC=C3

Synonyms:

• 1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline
• Isoquinoline, 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-