CAS 955978-83-3

6-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Description:

6-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, with the CAS number 955978-83-3, is a chemical compound that features a complex structure incorporating an indole moiety and a boron-containing group. The presence of the methylsulfonyl group suggests it may exhibit polar characteristics, potentially enhancing its solubility in polar solvents. The tetramethyl-1,3,2-dioxaborolane unit indicates that the compound may have applications in organoboron chemistry, particularly in cross-coupling reactions, which are valuable in synthetic organic chemistry. The indole structure is known for its biological significance, often serving as a scaffold in pharmaceuticals. This compound may exhibit interesting reactivity due to the boron atom, which can participate in various chemical transformations. Additionally, the steric bulk provided by the tetramethyl groups may influence its reactivity and interactions with other molecules. Overall, this compound's unique features make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₁₅H₂₀BNO₄S

InChI: InChI=1S/C15H20BNO4S/c1-14(2)15(3,4)21-16(20-14)12-8-10(22(5,18)19)9-13-11(12)6-7-17-13/h6-9,17H,1-5H3

InChI key: InChIKey=CEDXDVUMMSKPKZ-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=CC(=C2C(=C1)NC=C2)B3OC(C)(C)C(C)(C)O3

Synonyms:

• 6-Methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• 6-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• 1H-Indole, 6-(methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-