暂无可渲染的结构数据
CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)N)Cl中间体产品
(4-amino-2-chlorophenyl)-(2-methylphenyl)methanone
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-氨基-2-氯苯基)-(2-甲基苯基)甲酮 |
|---|---|
| English name | (4-amino-2-chlorophenyl)-(2-methylphenyl)methanone |
| IUPAC 名称 | — |
| CAS号 | 210967-34-3 |
| 数据库编号 | 10988565 |
| 分子式 | — |
| 分子量 | — |
产品信息
(4-氨基-2-氯苯基)-(2-甲基苯基)甲酮（CAS 210967-34-3）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 10988565
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
9 条反应 · 9 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-94614714bdb6405aad2ff0a623dc52cc反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-6de737abb82e49c9ac52f4c77c54ba03反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-94614714bdb6405aad2ff0a623dc52cc反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-6de737abb82e49c9ac52f4c77c54ba03反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 2-Chloro-3-nitro-pyridine (0.32 g, 2.0 mmol) and 4-amino-2-chloro-2′-methylbenzophenone (compound 2) (0.49 g, 2.0 mmol) was mixed thoroughly. The reaction mixture was warmed at 100° C. for 0.5 h and then at 160° C. for 0.5 h. The reaction mixture was cooled to room temperature, and dissolved in saturated aqueous NaHCO3 (10 mL) and EtOAc (30 mL). The phases were separated, and the organic phase was washed with saturated aqueous NaHCO3 (10 mL), dried (MgSO4), filtered and concentrated in vacuo. The reaction mixture was cooled to room temperature The phases were separated the organic phase was washed with saturated aqueous NaHCO3 (10 mL) dried (MgSO4) filtered concentrated in vacuo
来源 ID: ord-e1ea0df6416d45fb92efe078ad33becf反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 2-Chloro-3-nitro-pyridine (0.32 g, 2.0 mmol) and 4-amino-2-chloro-2′-methylbenzophenone (compound 2) (0.49 g, 2.0 mmol) was mixed thoroughly. The reaction mixture was warmed at 100° C. for 0.5 h and then at 160° C. for 0.5 h. The reaction mixture was cooled to room temperature, and dissolved in saturated aqueous NaHCO3 (10 mL) and EtOAc (30 mL). The phases were separated, and the organic phase was washed with saturated aqueous NaHCO3 (10 mL), dried (MgSO4), filtered and concentrated in vacuo. The reaction mixture was cooled to room temperature The phases were separated the organic phase was washed with saturated aqueous NaHCO3 (10 mL) dried (MgSO4) filtered concentrated in vacuo
来源 ID: ord-e1ea0df6416d45fb92efe078ad33becf反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 2-Chloro-3-nitro-pyridine (0.32 g, 2.0 mmol) and 4-amino-2-chloro-2′-methylbenzophenone (compound 2) (0.49 g, 2.0 mmol) was mixed thoroughly. The reaction mixture was warmed at 100° C. for 0.5 h and then at 160° C. for 0.5 h. The reaction mixture was cooled to room temperature, and dissolved in saturated aqueous NaHCO3 (10 mL) and EtOAc (30 mL). The phases were separated, and the organic phase was washed with saturated aqueous NaHCO3 (10 mL), dried (MgSO4), filtered and concentrated in vacuo. The reaction mixture was cooled to room temperature The phases were separated the organic phase was washed with saturated aqueous NaHCO3 (10 mL) dried (MgSO4) filtered concentrated in vacuo
来源 ID: ord-e1ea0df6416d45fb92efe078ad33becf反应条件: temp:120.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A mixture of (4-amino-2-chlorophenyl)(2-methylphenyl)methanone (61 mg. 0.25 mmol) (disclosed in WO 01/42189 A1), compound 436 (89 mg, 0.30 mmol), BINAP (5 mg), Pd2(dba)3 (5 mg) and Cs2CO3 (114 mg, 0.35 mmol) in 1,4-dioxane (5 ml) was heated to 120° C. under stirring for 3 days. The reaction mixture was filtered. The obtained solution was concentrated in vacuo. The residue was purified by chromatography (petroleum ether/ethyl acetate 1:1) to provide the desired product, which was not pure. The impure product was further purified by preparative TLC (petroleum ether/ethyl acetate 2:1) to give the pure title compound as brownish oil. The reaction mixture was filtered The obtained solution was concentrated in vacuo The residue was purified by chromatography (petroleum ether/ethyl acetate 1:1)
来源 ID: ord-8c01a3d927a24472a597fc8e4b75397c反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Compound 420 (3.39 g, 10.3 mmol) was dissolved in 15 mL dry 1,4-dioxane in a schlenk tube under an argon atmosphere. (4-Amino-2-chlorophenyl)(2-methylphenyl)methanone (disclosed in WO 01/42189) was added and dissolved in the solvent. Rac-BINAP (0.26 g, 0.42 mmol), Pd2(dba)3 (0.19 g, 0.20 mmol) and Cs2CO3 (4.7 g, 14.4 mmol) were added, and the reaction mixture was stirred under an argon atmosphere at 100° C. for 18 h. The reaction mixture was diluted with H2O and EtOAc, and the water phase was extracted twice with EtOAc. The combined organic phases were washed with brine, dried (MgSO4) and evaporated in vacuo. The crude product was purified by flash chromatography using DCM/acetone 100:1 as the eluent to afford the title compound as an oil. dissolved in the solvent the water phase was extracted twice with EtOAc The combined organic phases were washed with brine dried (MgSO4) evaporated in vacuo The crude product was purified by flash chromatography
来源 ID: ord-e5ecc4e888d04b2e8fbe7ba37f5302f0PubChem References
以下资料来自该化合物的公开数据库参考记录。