40107-95-7
基本信息
1H-吡咯并[3,4-C]吡啶-3(2H)-酮
1H-Pyrrolo[3,4-c]pyridin-3(2H)
1H,2H-pyrrolo[3,4-c]pyridin-3-one
1H-Pyrrolo[3,4-c]pyridin-3(2H)-one
1H,2H,3H-pyrrolo[3,4-c]pyridin-3-one
1,2-dihydropyrrolo[3,4-c]pyridin-3-one
1,2-Dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
3H-Pyrrolo[3,4-c]pyridin-3-one, 1,2-dihydro-
1. 1,2-Dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
物理化学性质
| 沸点 | 407.0±34.0 °C(Predicted) |
| 密度 | 1.286±0.06 g/cm3(Predicted) |
| 储存条件 | Sealed in dry,Room Temperature |
| 酸度系数(pKa) | 12.37±0.20(Predicted) |
| 外观 | Yellow to brown Solid |
| InChI | InChI=1S/C7H6N2O/c10-7-6-4-8-2-1-5(6)3-9-7/h1-2,4H,3H2,(H,9,10) |
| InChIKey | ROSODFDWJFAKQI-UHFFFAOYSA-N |
| SMILES | C1=NC=CC2CNC(=O)C1=2 |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H302-H315-H319-H335 |
| 防范说明 | P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405 |
制备方法
4664-01-1
40107-95-7
一般步骤:将3,4-吡啶二甲酰亚胺(0.40 g,2.7 mmol,1.0当量)溶于乙酸(12 mL)中,加入锌粉(0.78 g,11.9 mmol,4.4当量)。将悬浮液加热回流24小时。反应完成后,冷却至室温,混合物通过硅藻土垫过滤。滤液经减压浓缩,残余物用二氯甲烷(CH2Cl2)溶解。向此溶液中加入无水氯化钙(CaCl2),过滤除去不溶物。滤液再次减压浓缩,所得粗产物通过柱色谱法纯化,采用乙酸乙酯/甲醇(95:5,v/v)作为洗脱剂。收集目标馏分,浓缩后用乙醇结晶,得到1H-吡咯并[3,4-c]吡啶-3(2H)-酮(0.061 g,产率17%)为黄色固体。产物表征:熔点190-193°C(分解);1H NMR (300 MHz, DMSO-d6) δ 8.84 (s, 1H), 8.70 (br d, 2H), 7.62 (d, J = 5.5 Hz, 1H), 4.42 (s, 2H);13C NMR (75 MHz, DMSO-d6) δ 169.1, 153.3, 151.6, 145.3, 129.0, 119.9, 45.2;GC-MS m/z 134 (M+);IR (KBr) 2856, 1728, 1692, 1455, 1206, 1026 cm-1。元素分析计算值(C7H6N2O):C, 62.68; H, 4.51; N, 20.88。实测值:C, 62.75; H, 4.50; N, 20.63。
参考文献:
[1] European Journal of Medicinal Chemistry, 2012, vol. 55, p. 58 - 66,9
[2] Patent: WO2005/103003, 2005, A2. Location in patent: Page/Page column 106
1氢-吡咯[3,4-C]并吡啶-3(2氢)-酮价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/09/15 | XW024010795703 | 1H-吡咯并[3,4-C]吡啶-3(2H)-酮 | 40107-95-7 | 1G | 407元 |
| 2026/09/15 | XW024010795702 | 1H-吡咯并[3,4-C]吡啶-3(2H)-酮 | 40107-95-7 | 250MG | 115元 |
| 2026/09/15 | XW024010795701 | 1H-吡咯并[3,4-C]吡啶-3(2H)-酮 | 40107-95-7 | 100MG | 65元 |
