反应 #3820098
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-92742b338a8244fca85a1c4559224019暂无可渲染的结构数据
CC(C)CC1=C(C=C(C=C1)CCl)C(F)(F)F中间体产品
4-(chloromethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)benzene
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 | 4-(氯甲基)-1-(2-甲基丙基)-2-(三氟甲基)苯 |
|---|---|
| English name | 4-(chloromethyl)-1-(2-methylpropyl)-2-(trifluoromethyl)benzene |
| IUPAC 名称 | — |
| CAS号 | 957206-19-8 |
| 数据库编号 | 58020731 |
| 分子式 | — |
| 分子量 | — |
产品信息
4-(氯甲基)-1-(2-甲基丙基)-2-(三氟甲基)苯(CAS 957206-19-8)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 58020731
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
6 条反应 · 6 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-92742b338a8244fca85a1c4559224019反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: tert-Butyl 2-(7-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (0.04 g, 0.139 mmol) was dissolved in DMF (1.0 mL) and cesium carbonate (0.045 g, 0.139 mmol) and 4-(chloromethyl)-1-isobutyl-2-(trifluoromethyl)benzene (0.035 g, 0.139 mmol) was added. The reaction mixture was stirred at room temperature for 48 h and then filtered through Celite®. The filtrate was partitioned between EtOAc and water. The aqueous layer was extracted two additional times with EtOAc and the combined extracts were dried over sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to provide the title compound (58 mg). LCMS m/z=502.6 [M+H]+. filtered through Celite® The filtrate was partitioned between EtOAc and water The aqueous layer was extracted two additional times with EtOAc the combined extracts were dried over sodium sulfate filtered concentrated under reduced pressure The residue was purified by silica gel column chromatography
来源 ID: ord-5d218c22436541f0bc452980f6c4235b反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: tert-Butyl 2-(7-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (0.04 g, 0.139 mmol) was dissolved in DMF (1.0 mL) and cesium carbonate (0.045 g, 0.139 mmol) and 4-(chloromethyl)-1-isobutyl-2-(trifluoromethyl)benzene (0.035 g, 0.139 mmol) was added. The reaction mixture was stirred at room temperature for 48 h and then filtered through Celite®. The filtrate was partitioned between EtOAc and water. The aqueous layer was extracted two additional times with EtOAc and the combined extracts were dried over sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to provide the title compound (58 mg). LCMS m/z=502.6 [M+H]+. filtered through Celite® The filtrate was partitioned between EtOAc and water The aqueous layer was extracted two additional times with EtOAc the combined extracts were dried over sodium sulfate filtered concentrated under reduced pressure The residue was purified by silica gel column chromatography
来源 ID: ord-5d218c22436541f0bc452980f6c4235b反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-92742b338a8244fca85a1c4559224019反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: tert-Butyl 2-(7-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (0.04 g, 0.139 mmol) was dissolved in DMF (1.0 mL) and cesium carbonate (0.045 g, 0.139 mmol) and 4-(chloromethyl)-1-isobutyl-2-(trifluoromethyl)benzene (0.035 g, 0.139 mmol) was added. The reaction mixture was stirred at room temperature for 48 h and then filtered through Celite®. The filtrate was partitioned between EtOAc and water. The aqueous layer was extracted two additional times with EtOAc and the combined extracts were dried over sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to provide the title compound (58 mg). LCMS m/z=502.6 [M+H]+. filtered through Celite® The filtrate was partitioned between EtOAc and water The aqueous layer was extracted two additional times with EtOAc the combined extracts were dried over sodium sulfate filtered concentrated under reduced pressure The residue was purified by silica gel column chromatography
来源 ID: ord-8664169ecbc44e1c8c010bfaf1950505反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: tert-Butyl 2-(7-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetate (0.04 g, 0.139 mmol) was dissolved in DMF (1.0 mL) and cesium carbonate (0.045 g, 0.139 mmol) and 4-(chloromethyl)-1-isobutyl-2-(trifluoromethyl)benzene (0.035 g, 0.139 mmol) was added. The reaction mixture was stirred at room temperature for 48 h and then filtered through Celite®. The filtrate was partitioned between EtOAc and water. The aqueous layer was extracted two additional times with EtOAc and the combined extracts were dried over sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to provide the title compound (58 mg). LCMS m/z=502.6 [M+H]+. filtered through Celite® The filtrate was partitioned between EtOAc and water The aqueous layer was extracted two additional times with EtOAc the combined extracts were dried over sodium sulfate filtered concentrated under reduced pressure The residue was purified by silica gel column chromatography
来源 ID: ord-5d218c22436541f0bc452980f6c4235bPubChem 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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