참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Sodium Carbonate | HCID 10340 | — |
| 반응물 | 1,4-Dioxane | HCID 31275 | — |
| 반응물 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one | HCID 21955795 | — |
| 반응물 | 5-bromo-N-cyclohexylimidazo[1,2-a]pyrazin-8-amine | HCID 57699487 | — |
| 촉매 | Tetrakis palladium triphenylphosphine | HCID 86600928 | — |
| 용매 | Toluene | HCID 1140 | — |
| 용매 | Diethyl Ether | HCID 3283 | — |
| 생성물 | 5-(8-(Cyclohexylamino)imidazo[1,2-a]pyrazin-5-yl)isoindolin-1-one | HCID 25115378 | 37% |
반응 단계
The product of Step 1 (70 mg, 0.24 mmol), Intermediate 4 (5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2,3-dihydro-isoindol-1-one, 77 mg, 0.3 mmol), tetrakis palladium triphenylphosphine (69 mg, 0.06 mmol), sodium carbonate solution (1.5 M, 1.28 mL, 1.92 mmol) and dioxane (3.8 mL) are combined in a flask. The mixture is degassed with nitrogen for 10 min then sealed and heated at 90° C. for 16 h. Brine is added and the mixture is washed with dichloromethane followed by ethyl acetate. The combined organic layers are dried over MgSO4 and evaporated in vacuo to afford a brown oil. The crude material is purified by column chromatography, eluting with 5% methanolic ammonia (7 N) in dichloromethane to give a brown solid. Trituration with 1:1 toluene:diethyl ether yielded the title compound as an off-white solid (30 mg, 37%). 1H-NMR (400 MHz, d6-DMSO) =1.22-1.29 (m, 1H), 1.32-1.49 (m, 4H), 1.64 (d, 1H, J=15.2 Hz), 1.77 (d, 2H, J=12.8 Hz), 1.92 (d, 2H, J=15.2 Hz), 3.97-4.01 (1H, m), 7.33 (d, 1H, J=8.4 Hz), 7.48 (s, 1H), 7.63 (s, 1H), 7.92 (s, 1H). LCMS: Rt 2.24 min (99.6%), m/z (APCI) 348 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08138193B2 |
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| 출처 데이터셋 | uspto-grants-2012_03 |
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| ORD ID | ord-f1293bd210e44f8e96d80f06326790f4 |
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| 출처 메모 | uspto-grants-2012_03 |
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