反应 #4119176
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-0861d7677a2c498ebccce82d73e84de4暂无可渲染的结构数据
BrCC=CC=CC(=O)OC中间体产品
2,4-Hexadienoic acid, 6-bromo-, methyl ester, (E,E)-
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 | 2,4-己二烯酸,6-溴-,甲酯,(E,E)- |
|---|---|
| English name | 2,4-Hexadienoic acid, 6-bromo-, methyl ester, (E,E)- |
| IUPAC 名称 | — |
| CAS号 | 51010-88-9 |
| 数据库编号 | 54529347 |
| 分子式 | — |
| 分子量 | — |
产品信息
2,4-己二烯酸,6-溴-,甲酯,(E,E)-(CAS 51010-88-9)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 54529347
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-0861d7677a2c498ebccce82d73e84de4反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-8b2d7ddd69114d3ea8475eeb87f05ad9反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-b24da8146c12493ca3f5650a98a38289反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-97c913f6b5974d358feacbc1db21d160反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-1b9c4075797f488988a2b3df8ca03c75反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-0861d7677a2c498ebccce82d73e84de4反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-8b2d7ddd69114d3ea8475eeb87f05ad9反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-b24da8146c12493ca3f5650a98a38289反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-97c913f6b5974d358feacbc1db21d160反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-1b9c4075797f488988a2b3df8ca03c75反应条件: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 6-bromo-hexa-2,4-dienoic acid methyl ester (1.57 g, 7.66 mmol) and 2-thionaphthol (1.35 g, 8.42 mmol) in diethyl ether (40 mL) was added dropwise triethylamine (1.40 mL, 10.0 mmol) under an atmosphere of argon. The mixture was stirred for one hour 20° C. and filtered. The filtrate was washed saturated aqueous sodium hydrogen carbonate (25 mL), demineralised water (25 mL) and brine (25 mL). The organic layer was dried over anhydrous MgSO4, filtered and concentrated under reduced pressure to give a yellow oil that was purified by column chromatography (9:1 to 8:2 40-60° C. petroleum ether:diethyl ether). Recrystallisation from diethyl ether/petroleum ether afforded the title compound (1.9 g, 88%) as a white solid, mp 73-75° C. filtered The filtrate was washed saturated aqueous sodium hydrogen carbonate (25 mL), demineralised water (25 mL) and brine (25 mL) The organic layer was dried over anhydrous MgSO4 filtered concentrated under reduced pressure to give a yellow oil that was purified by column chromatography (9:1 to 8:2 40-60° C. petroleum ether:diethyl ether) Recrystallisation from diethyl ether/petroleum ether
来源 ID: ord-767484c515354748ba5be29eac4b0fab反应条件: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of 6-bromohexa-2,4-dienoic acid methyl ester (0.41 g, 2.0 mmol), sodium benzene sulfinate (0.33 g, 2.0 mmol) and tetra-n-butylammonium iodide (37 mg, 0.1 mmol) was heated at reflux in dry THF (10 mL) under an atmosphere of nitrogen for 2 hours. The resulting slurry was allowed to cool to 20° C. and filtered. The filtrate was concentrated under reduced pressure to give an oil that was dissolved in ethyl acetate (20 mL). This solution was washed successively with saturated aqueous sodium hydrogen carbonate (10 mL), distilled water (10 mL), then with brine (10 mL). The organic layer was dried over anhydrous MgSO4, filtered and concentrated under reduced pressure to give an oil that was purified by flash chromatography (7:3 to 1:1 to 1:1 60-80° C. petroleum ether:diethyl ether) to give a solid that was recrystallised to give the title compound (0.39 g, 73%) as white crystals, mp 105° C. was heated filtered The filtrate was concentrated under reduced pressure to give an oil that This solution was washed successively with saturated aqueous sodium hydrogen carbonate (10 mL) distilled water (10 mL) The organic layer was dried over anhydrous MgSO4 filtered concentrated under reduced pressure to give an oil that was purified by flash chromatography (7:3 to 1:1 to 1:1 60-80° C. petroleum ether:diethyl ether) to give a solid that was recrystallised
来源 ID: ord-dc0952acbd134df5b69bf358f0fc070ePubChem References
以下资料来自该化合物的公开数据库参考记录。
