反应 #4120873
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-893d4419d5cc46b985949022e82dcee6暂无可渲染的结构数据
COC1CCC2(CC1)C(=O)C3=C(O2)C=CC(=C3)Br中间体产品
5-bromo-4'-methoxyspiro[1-benzofuran-2,1'-cyclohexane]-3-one
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 | 5-溴-4'-甲氧螺[1-苯并呋喃-2,1'-环己烷]-3-酮 |
|---|---|
| English name | 5-bromo-4'-methoxyspiro[1-benzofuran-2,1'-cyclohexane]-3-one |
| IUPAC 名称 | — |
| CAS号 | 1245515-88-1 |
| 数据库编号 | 58197551 |
| 分子式 | — |
| 分子量 | — |
产品信息
5-溴-4'-甲氧螺[1-苯并呋喃-2,1'-环己烷]-3-酮(CAS 1245515-88-1)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 58197551
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
7 条反应 · 7 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-893d4419d5cc46b985949022e82dcee6反应条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone (Intermediate 12 Step 2, 1.05 g, 3.17 mmol) and potassium tert-butoxide (0.445 g, 3.80 mmol) in THF (10 mL) was heated in a microwave reactor at 70° C. for 30 min. The solvent was removed in vacuo and the residue was purified by flash chromatography using a gradient of 0 to 15% EtOAc in hexanes to afford 388 mg (39% yield) of the title compound. 1H NMR (400 MHz, CDCl3): δ ppm 1.71 (m, 6 H), 2.31 (m, 2 H), 3.32 (m, 1 H), 3.41 (s, 3 H), 7.03 (d, J=9.20 Hz, 1H), 7.36 (t, J=8.80, 2.00 Hz, 1 H), 7.77 (d, J=2.00 Hz, 1 H); MS (ES+) m/z 312 [M+H]|. The solvent was removed in vacuo the residue was purified by flash chromatography
来源 ID: ord-ab5d11f095e743c19687814b4f4ebf45反应条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone (Intermediate 12 Step 2, 1.05 g, 3.17 mmol) and potassium tert-butoxide (0.445 g, 3.80 mmol) in THF (10 mL) was heated in a microwave reactor at 70° C. for 30 min. The solvent was removed in vacuo and the residue was purified by flash chromatography using a gradient of 0 to 15% EtOAc in hexanes to afford 388 mg (39% yield) of the title compound. 1H NMR (400 MHz, CDCl3): δ ppm 1.71 (m, 6 H), 2.31 (m, 2 H), 3.32 (m, 1 H), 3.41 (s, 3 H), 7.03 (d, J=9.20 Hz, 1H), 7.36 (t, J=8.80, 2.00 Hz, 1 H), 7.77 (d, J=2.00 Hz, 1 H); MS (ES+) m/z 312 [M+H]|. The solvent was removed in vacuo the residue was purified by flash chromatography
来源 ID: ord-ab5d11f095e743c19687814b4f4ebf45反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-893d4419d5cc46b985949022e82dcee6反应条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone (Intermediate 12 Step 2, 1.05 g, 3.17 mmol) and potassium tert-butoxide (0.445 g, 3.80 mmol) in THF (10 mL) was heated in a microwave reactor at 70° C. for 30 min. The solvent was removed in vacuo and the residue was purified by flash chromatography using a gradient of 0 to 15% EtOAc in hexanes to afford 388 mg (39% yield) of the title compound. 1H NMR (400 MHz, CDCl3): δ ppm 1.71 (m, 6 H), 2.31 (m, 2 H), 3.32 (m, 1 H), 3.41 (s, 3 H), 7.03 (d, J=9.20 Hz, 1 H), 7.36 (t, J=8.80, 2.00 Hz, 1 H), 7.77 (d, J=2.00 Hz, 1 H); MS (ES+) m/z 312 [M+H]+. The solvent was removed in vacuo the residue was purified by flash chromatography
来源 ID: ord-ac482730ba0844099c727e0fba8a15ac反应条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone (Intermediate 12 Step 2, 1.05 g, 3.17 mmol) and potassium tert-butoxide (0.445 g, 3.80 mmol) in THF (10 mL) was heated in a microwave reactor at 70° C. for 30 min. The solvent was removed in vacuo and the residue was purified by flash chromatography using a gradient of 0 to 15% EtOAc in hexanes to afford 388 mg (39% yield) of the title compound. 1H NMR (400 MHz, CDCl3): δ ppm 1.71 (m, 6H), 2.31 (m, 2H), 3.32 (m, 1H), 3.41 (s, 3H), 7.03 (d, J=9.20 Hz, 1H), 7.36 (t, J=8.80, 2.00 Hz, 1H), 7.77 (d, J=2.00 Hz, 1H); MS (ES+) m/z 312 [M+H]+. The solvent was removed in vacuo the residue was purified by flash chromatography
来源 ID: ord-83305b59780647399ca4bb9b4a4bb9a7反应条件: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone (Intermediate 12 Step 2, 1.05 g, 3.17 mmol) and potassium tert-butoxide (0.445 g, 3.80 mmol) in THF (10 mL) was heated in a microwave reactor at 70° C. for 30 min. The solvent was removed in vacuo and the residue was purified by flash chromatography using a gradient of 0 to 15% EtOAc in hexanes to afford 388 mg (39% yield) of the title compound. 1H NMR (400 MHz, CDCl3): δ ppm 1.71 (m, 6 H), 2.31 (m, 2 H), 3.32 (m, 1 H), 3.41 (s, 3 H), 7.03 (d, J=9.20 Hz, 1H), 7.36 (t, J=8.80, 2.00 Hz, 1 H), 7.77 (d, J=2.00 Hz, 1 H); MS (ES+) m/z 312 [M+H]|. The solvent was removed in vacuo the residue was purified by flash chromatography
来源 ID: ord-ab5d11f095e743c19687814b4f4ebf45PubChem References
以下资料来自该化合物的公开数据库参考记录。
相关产品
12 related records
CAS 49660-57-3
CAS 1350761-50-0
CAS 864263-33-2
CAS 17771-33-4
CAS 78507-90-1
CAS 1350761-37-3
CAS 1350761-41-9
CAS 201809-69-0
CAS 263903-18-0
CAS 116543-90-9
CAS 881190-51-8
CAS 1350761-39-5
