Computed Properties of C8H6BrNO, Chemistry built the modern world, from the materials that make up the everyday objects around us, the batteries in our devices and cleaning products that help to maintain sanitation.
A mixture of 6-bromoisoindolin-1-one (1.0 g, 4.72 mmol), Pd(dppf)Cl2 (104 mg, 0.14 mmol), K2CO3 (1.96 g, 14.2 mmol) and 3-pyridylboronic acid (580 mg, 4.72 mmol) in dioxane (45 mL) and water (5 mL) was heated to 100 C. overnight. After cooling, the mixture was poured into water and extracted with EtOAc (3×100 mL). The combined organic fractions were washed with brine and dried over sodium sulfate. The solvent was evaporated and the residue was purified by column chromatography on silica gel (1%-50% EtOAc in pet. ether) to afford 85B (500 mg, 50% yield) as an off-white solid: 1H NMR (400 MHz, DMSO-d6) delta 8.94 (d, J=2 Hz, 1H), 8.67 (s, 1H), 8.60 (dd, J=4.8 Hz, 1.2 Hz, 1H), 8.16-8.13 (m, 1H), 7.96-7.94 (m, 2H), 7.71 (d, J=8.8 Hz, 1H), 7.52-7.49 (m, 1H), 4.44 (s, 2H); ESI m/z 211.0 [M+H]+.
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Reference:
Patent; Seal Rock Therapeutics, Inc.; BROWN, Samuel David; US2018/291002; (2018); A1;,
Indoline – Wikipedia,
Indoline | C8H9N – PubChem