反应 #4129173
相关文献 (1)
openreactiondata ↗doi:10.1039/C8SC04228D
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-adbcc2a0efc849ada41654575bd5cb31暂无可渲染的结构数据
C1C(O1)CCN2C(=O)C3=CC=CC=C3C2=O中间体产品
2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione
结构、标识符和计算性质已按 CAS 与数据库记录完成匹配。
| 中文名称 | 2-(2-(环氧乙烷-2-基)乙基)异吲哚啉-1,3-二酮 |
|---|---|
| English name | 2-[2-(oxiran-2-yl)ethyl]isoindole-1,3-dione |
| IUPAC 名称 | — |
| CAS号 | 86506-70-9 |
| 数据库编号 | 339433 |
| 分子式 | — |
| 分子量 | — |
产品信息
2-(2-(环氧乙烷-2-基)乙基)异吲哚啉-1,3-二酮(CAS 86506-70-9)的产品身份、结构标识及相关反应资料,供化学中间体检索、研发和采购评估使用。
可能的应用方向
仅供专业研发与工业用途
数据库编号 339433
安全提示
仅供专业研发与工业用途。操作前请依据供应商提供的安全数据表完成风险评估。
合成路线数据
12 条反应 · 12 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-adbcc2a0efc849ada41654575bd5cb31反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-cabaddd1e40b4669aee96cbbf7a5654e反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A sample of 2.1 g (9.0 mmol) 1-(2,3-dichlorophenyl)-piperazine in 40 mL 2-PrOH was reacted in the microwave (pressure vessel, Pmax 150 W, cooling, 90° C., 20 min) with 2.0 g (9.0 mmol) 25. The solvent was removed in vacuo and the foamy residue was washed with 10 mL 2-PrOH. Yield: 2.96 g (73%). 1H NMR (CDCl3): δ 1.79 (m, 2H), 2.42 (m, 2H), 2.56 (s, 2H), 2.79 (m, 2H), 3.02 (s, 4H), 3.60 (s, 1H), 3.74-3.83 (m, 3H), 6.90 (m, 1H), 7.06-7.11 (m, 2H), 7.67 (m, 2H), 7.81 (m, 2H). 13C NMR (CDCl3): δ 33.9, 35.3, 51.4, 53.4, 63.8, 64.5, 118.2, 122.7, 124.1, 127.0, 131.6, 133.4, 133.4, 150.4, 167.7. The solvent was removed in vacuo the foamy residue was washed with 10 mL 2-PrOH
来源 ID: ord-403dd16b5e6a4444966c969eb59d0686反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 5 g (˜25 mmol) 2-(3,4-epoxybutyl)-isoindolin-1,3-dione, 7.5 g (30 mmol) benzhydrylpiperazine and 3.5 g (25 mmol) potassium carbonate are stirred in DMF for 6 hours 80° C. After cooling, the reaction mixture is filtered and concentrated under vacuum. The residue is taken up in 300 ml acetic acid ethyl ester and washed three times each with 20 ml water. The organic phase is dried over sodium sulfate and the solvent is removed under vacuum. The residue is chromatographically purified over silica gel with CHCl3/CH3OH. After cooling the reaction mixture is filtered concentrated under vacuum washed three times each with 20 ml water The organic phase is dried over sodium sulfate the solvent is removed under vacuum The residue is chromatographically purified over silica gel with CHCl3/CH3OH
来源 ID: ord-74029f5adc144f849d7c7dffec248640反应条件: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 70 g (350 mmol) 2-(but-3-enyl)-isoindolin-1,3-dione are dissolved in dichloromethane. The solution is cooled to ca. 0° C. and a suspension of 120.8 g (350 mmol) 50% 3-chloro-peroxy-benzoic acid in dichloromethane is added under cooling. The mixture is left standing without further cooling at room temperature for two days. After addition of 250 ml saturated NaHCO3 solution the organic phase is separated and washed three times each with 200 ml saturated NaHCO3 solution and once with water. The organic phase is dried over sodium sulfate and the solvent is removed under vacuum: yield 80 g. is added under cooling The mixture is left without further cooling at room temperature for two days is separated washed three times each with 200 ml saturated NaHCO3 solution The organic phase is dried over sodium sulfate the solvent is removed under vacuum
来源 ID: ord-b214c1b3a19d4f26a1c32cb490e950fe反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A sample of 2.1 g (9.0 mmol) 1-(2,3-dichlorophenyl)-piperazine in 40 mL 2-PrOH was reacted in the microwave (pressure vessel, Pmax 150 W, cooling, 90° C., 20 min) with 2.0 g (9.0 mmol) 25. The solvent was removed in vacuo and the foamy residue was washed with 10 mL 2-PrOH. Yield: 2.96 g (73%). 1H NMR (CDCl3): δ 1.79 (m, 2H), 2.42 (m, 2H), 2.56 (s, 2H), 2.79 (m, 2H), 3.02 (s, 4H), 3.60 (s, 1H), 3.74-3.83 (m, 3H), 6.90 (m, 1H), 7.06-7.11 (m, 2H), 7.67 (m, 2H), 7.81 (m, 2H). 13C NMR (CDCl3): δ 33.9, 35.3, 51.4, 53.4, 63.8, 64.5, 118.2, 122.7, 124.1, 127.0, 131.6, 133.4, 133.4, 150.4, 167.7. The solvent was removed in vacuo the foamy residue was washed with 10 mL 2-PrOH
来源 ID: ord-403dd16b5e6a4444966c969eb59d0686反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A sample of 2.1 g (9.0 mmol) 1-(2,3-dichlorophenyl)-piperazine in 40 mL 2-PrOH was reacted in the microwave (pressure vessel, Pmax 150 W, cooling, 90° C., 20 min) with 2.0 g (9.0 mmol) 25. The solvent was removed in vacuo and the foamy residue was washed with 10 mL 2-PrOH. Yield: 2.96 g (73%). 1H NMR (CDCl3): δ 1.79 (m, 2H), 2.42 (m, 2H), 2.56 (s, 2H), 2.79 (m, 2H), 3.02 (s, 4H), 3.60 (s, 1H), 3.74-3.83 (m, 3H), 6.90 (m, 1H), 7.06-7.11 (m, 2H), 7.67 (m, 2H), 7.81 (m, 2H). 13C NMR (CDCl3): δ 33.9, 35.3, 51.4, 53.4, 63.8, 64.5, 118.2, 122.7, 124.1, 127.0, 131.6, 133.4, 133.4, 150.4, 167.7. The solvent was removed in vacuo the foamy residue was washed with 10 mL 2-PrOH
来源 ID: ord-403dd16b5e6a4444966c969eb59d0686反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-adbcc2a0efc849ada41654575bd5cb31反应条件: temp:110.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a mixture of 2-(2-(oxiran-2-yl)ethyl)isoindoline-1,3-dione obtained in step 2 (0.30 g, 1.38 mmol) and potassium carbonate (0.48 g, 3.45 mmol) in N,N-dimethylformamide (3.0 ml), was added 1-(2,3-dimethylphenyl)piperazine hydrochloride (0.31 g, 1.38 mmol) at room temperature. The resulting reaction mixture was stirred at 110° C. for 18 hours. After the reaction complete, the reaction mixture thus obtained was filtered through a plug of Celite. The filtrate was concentrated under reduced pressure to obtain the title compound (0.26 g). The compound was used for the next step without further purification. The resulting reaction mixture After the reaction complete, the reaction mixture thus obtained was filtered through a plug of Celite The filtrate was concentrated under reduced pressure
来源 ID: ord-efd2fed5268e435e9d7457c3c1ed6d7f反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-cabaddd1e40b4669aee96cbbf7a5654e反应条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 4-(3,4-dichlorophenoxy)piperidine (WO 0058305, WO 0177101) (4.40 g) and 2-(2-oxiran-2-ylethyl)-1H-isoindole-1,3(2H)-dione (J. Med. Chem. 1979, 22(6), 631-9. 5.00 g) in ethanol (50 ml) was stirred at 60° C. for 12 h. The mixture was cooled down and left overnight. The formed crystals were collected by filtration, washed with cold ethanol and dried under vacuum to afford the sub-title compound as a white solid (3.0 g). The mixture was cooled down left overnight The formed crystals were collected by filtration washed with cold ethanol dried under vacuum
来源 ID: ord-7b0a51debb4a4553a01f0c4cebb620a5反应条件: temp:60.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 4-(3,4-dichlorophenoxy)piperidine (WO 0058305, WO 0177101) (4.40 g) and 2-(2-oxiran-2-ylethyl)-1H-isoindole-1,3(2H)-dione (J. Med. Chem. 1979, 22(6), 631-9. 5.00 g) in ethanol (50 ml) was stirred at 60° C. for 12 h. The mixture was cooled down and left overnight. The formed crystals were collected by filtration, washed with cold ethanol and dried under vacuum to afford the sub-title compound as a white solid (3.0 g). The mixture was cooled down left overnight The formed crystals were collected by filtration washed with cold ethanol dried under vacuum
来源 ID: ord-7b0a51debb4a4553a01f0c4cebb620a5PubChem References
以下资料来自该化合物的公开数据库参考记录。
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