1228014-35-4
基本信息
4-Bromo-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
物理化学性质
| 沸点 | 376.7±45.0 °C(Predicted) |
| 密度 | 1.46±0.1 g/cm3(Predicted) |
| 储存条件 | Inert atmosphere,2-8°C |
| 酸度系数(pKa) | 3.16±0.30(Predicted) |
| 外观 | orange oil |
安全数据
| 危险性符号(GHS) | ![]() GHS07 |
| 警示词 | 警告 |
| 危险性描述 | H302 |
| 防范说明 | P280-P305+P351+P338 |
制备方法
24424-99-5
348640-06-2
1228014-35-4
以4-溴-1H-吡咯并[2,3-b]吡啶(XCI)(5g,25.4mmol,1当量)为原料,将其溶解于二氯甲烷(DCM)(100mL)中,加入4-二甲氨基吡啶(DMAP)(311mg,2.55mmol,0.1当量)和三乙胺(TEA)(5.3mL)。在0℃下,向反应混合物中缓慢加入二碳酸二叔丁酯(Boc2O)(7.2mL,31mmol,1.2当量)。将反应体系逐渐升温至室温并持续搅拌2小时。反应完成后,加入水(100mL)进行淬灭,并用二氯甲烷(DCM)萃取两次。合并有机相,减压浓缩除去溶剂,得到4-溴-1H-吡咯并[2,3-b]吡啶-1-羧酸叔丁酯(XCII)为无色油状物(6.95g,23.4mmol,收率92.1%)。产物经1H NMR(CDCl3, 400MHz)确认:δ 1.60(s, 9H), 6.50(d, J = 4Hz, 1H), 7.31(d, J = 5.2Hz, 1H), 7.63(d, J = 4Hz, 1H), 8.23(d, J = 5.2Hz, 1H);电喷雾质谱(ESIMS)分析显示分子离子峰m/z 297.1(M + H),符合预期分子式C12H13BrN2O2。
参考文献:
[1] Patent: WO2017/24021, 2017, A1. Location in patent: Paragraph 0694; 0695
[2] Patent: WO2017/24004, 2017, A1. Location in patent: Paragraph 0676
[3] Patent: WO2017/23980, 2017, A1. Location in patent: Paragraph 0676
[4] Patent: WO2017/23996, 2017, A1. Location in patent: Paragraph 0676
[5] Patent: WO2012/101654, 2012, A2. Location in patent: Page/Page column 59
4-溴-1H-吡咯并[2,3-B]吡啶-1-羧酸叔丁酯价格(试剂级)
| 报价日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
| 2026/06/05 | XW02122801435403 | 4-溴-1H-吡咯并[2,3-B]吡啶-1-羧酸叔丁酯 | 1228014-35-4 | 5G | 1693元 |
| 2026/06/05 | XW02122801435402 | 4-溴-1H-吡咯并[2,3-B]吡啶-1-羧酸叔丁酯 | 1228014-35-4 | 1G | 538元 |
| 2026/06/05 | XW02122801435401 | 4-溴-1H-吡咯并[2,3-B]吡啶-1-羧酸叔丁酯 | 1228014-35-4 | 250MG | 235元 |
