暂无可渲染的结构数据
CC1CC2=C(C=C(C=C2)N)NC1=O中间体产品
7-amino-3-methyl-3,4-dihydro-1H-quinolin-2-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 | 7-氨基-3-甲基-3,4-二氢-1H-喹啉-2-one |
|---|---|
| English name | 7-amino-3-methyl-3,4-dihydro-1H-quinolin-2-one |
| IUPAC 名称 | — |
| CAS号 | 124954-73-0 |
| 数据库编号 | 15719033 |
| 分子式 | — |
| 分子量 | — |
产品信息
7-氨基-3-甲基-3,4-二氢-1H-喹啉-2-one（CAS 124954-73-0）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 15719033
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-ee80651864aa4afa9dfcd0e4907774d2反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A flask was charged with 2-chloro-N-cyclopropylfuro[3,2-d]pyrimidin-4-amine (0.38 g, 1.8 mmol, Example #3, Step C), 7-amino-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.30 g, 1.7 mmol), K2CO3 (0.38 g, 2.7 mmol), Pd2dba3 (0.17 g, 0.18 mmol) and X-Phos (0.17 g, 0.36 mmol) in 1,4-dioxane (20 mL). The flask was evacuated and purged with N2 (3×), and the mixture was heated to about 100° C. overnight. The mixture was cooled to rt and concentrated under reduced pressure to a residue. The residue was purified by preparative TLC (1.0 mm plate), eluting with DCM/MeOH (12:1). The product obtained was further purified by preparative HPLC (Table 2, Method r) to give 7-(4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-ylamino)-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.15 g, 24%): LC/MS (Table 2, Method g) Rt=1.04 min; MS m/z: 177 (M+H)+. Syk IC50=A The flask was evacuated purged with N2 (3×) The mixture was cooled to rt concentrated under reduced pressure to a residue The residue was purified by preparative TLC (1.0 mm plate) eluting with DCM/MeOH (12:1) The product obtained was further purified by preparative HPLC (Table 2, Method r)
来源 ID: ord-93e5a8f7466f4f44a9ed2918ab0aaa13反应条件: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A flask was charged with methyl 3-(2,4-dinitrophenyl)-2-methylpropanoate (1.1 g, 4.1 mmol), 10 wt % Pd on carbon (0.25 g, 2.3 mmol), and t-BuOH (15 mL). The mixture was degassed with H2 three times and was stirred for about 72 h at about 50° C. The mixture was filtered and the filtrate was concentrated under reduced pressure to give 7-amino-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.70 g, 92%): LC/MS (Table 2, Method g) Rt=1.04 min; MS m/z: 177 (M+H)+. The mixture was degassed with H2 three times The mixture was filtered the filtrate was concentrated under reduced pressure
来源 ID: ord-a383f3d27f1044d7b9dec2f73b90cd29反应条件: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A flask was charged with methyl 3-(2,4-dinitrophenyl)-2-methylpropanoate (1.1 g, 4.1 mmol), 10 wt % Pd on carbon (0.25 g, 2.3 mmol), and t-BuOH (15 mL). The mixture was degassed with H2 three times and was stirred for about 72 h at about 50° C. The mixture was filtered and the filtrate was concentrated under reduced pressure to give 7-amino-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.70 g, 92%): LC/MS (Table 2, Method g) Rt=1.04 min; MS m/z: 177 (M+H)+. The mixture was degassed with H2 three times The mixture was filtered the filtrate was concentrated under reduced pressure
来源 ID: ord-a383f3d27f1044d7b9dec2f73b90cd29反应条件: temp:100.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A flask was charged with 2-chloro-N-cyclopropylfuro[3,2-d]pyrimidin-4-amine (0.38 g, 1.8 mmol, Example #3, Step C), 7-amino-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.30 g, 1.7 mmol), K2CO3 (0.38 g, 2.7 mmol), Pd2dba3 (0.17 g, 0.18 mmol) and X-Phos (0.17 g, 0.36 mmol) in 1,4-dioxane (20 mL). The flask was evacuated and purged with N2 (3×), and the mixture was heated to about 100° C. overnight. The mixture was cooled to rt and concentrated under reduced pressure to a residue. The residue was purified by preparative TLC (1.0 mm plate), eluting with DCM/MeOH (12:1). The product obtained was further purified by preparative HPLC (Table 2, Method r) to give 7-(4-(cyclopropylamino)furo[3,2-d]pyrimidin-2-ylamino)-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.15 g, 24%): LC/MS (Table 2, Method g) Rt=1.04 min; MS m/z: 177 (M+H)+. Syk IC50=A The flask was evacuated purged with N2 (3×) The mixture was cooled to rt concentrated under reduced pressure to a residue The residue was purified by preparative TLC (1.0 mm plate) eluting with DCM/MeOH (12:1) The product obtained was further purified by preparative HPLC (Table 2, Method r)
来源 ID: ord-93e5a8f7466f4f44a9ed2918ab0aaa13反应条件: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A flask was charged with methyl 3-(2,4-dinitrophenyl)-2-methylpropanoate (1.1 g, 4.1 mmol), 10 wt % Pd on carbon (0.25 g, 2.3 mmol), and t-BuOH (15 mL). The mixture was degassed with H2 three times and was stirred for about 72 h at about 50° C. The mixture was filtered and the filtrate was concentrated under reduced pressure to give 7-amino-3-methyl-3,4-dihydroquinolin-2(1H)-one (0.70 g, 92%): LC/MS (Table 2, Method g) Rt=1.04 min; MS m/z: 177 (M+H)+. The mixture was degassed with H2 three times The mixture was filtered the filtrate was concentrated under reduced pressure
来源 ID: ord-a383f3d27f1044d7b9dec2f73b90cd29PubChem References
以下资料来自该化合物的公开数据库参考记录。