methyl 4-(1H-3-pyrrolylcarbonyl)nicotinate | 330455-24-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 4-(1H-3-pyrrolylcarbonyl)nicotinate
• 英文别名: methyl 4-(1H-pyrrole-3-carbonyl)pyridine-3-carboxylate
• CAS: 330455-24-8
• 化学式: C₁₂H₁₀N₂O₃
• 分子量: 230.223
• InChiKey: CWQHVHWAZFMIRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(1H-3-pyrrolylcarbonyl)nicotinate 在 lithium hexamethyldisilazane 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 5.0h， 以27%的产率得到1H-pyrrolo[3,2-g]isoquinoline-4,9-dione
  参考文献：
  名称：

  Synthesis of Azanaphthoquinone Annelated Pyrroles

  摘要：

  The synthesis of azanaphthoquinone annelated pyrrole derivatives is described. The [c]-annelated derivative was synthesized by reaction of an azanaphthoquinone monoketal with tosylmethyl isocyanide. The synthesis of each of the two isomeric [b]-annelated pyrrole derivatives was realized by selective acylation reactions with pyrrole. Furthermore detailed NMR spectroscopic studies (H-1,C-13) are published.

  DOI：

  10.3987/com-98-8401
• 作为产物：
  描述：

  吡啶-3,4-二甲酸酐 在 三氯化铝 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 乙腈 为溶剂， 反应 18.08h， 生成 methyl 4-(1H-3-pyrrolylcarbonyl)nicotinate
  参考文献：
  名称：

  Synthesis of Azanaphthoquinone Annelated Pyrroles

  摘要：

  The synthesis of azanaphthoquinone annelated pyrrole derivatives is described. The [c]-annelated derivative was synthesized by reaction of an azanaphthoquinone monoketal with tosylmethyl isocyanide. The synthesis of each of the two isomeric [b]-annelated pyrrole derivatives was realized by selective acylation reactions with pyrrole. Furthermore detailed NMR spectroscopic studies (H-1,C-13) are published.

  DOI：

  10.3987/com-98-8401

文献信息

• Synthesis of Azanaphthoquinone Annelated Pyrroles
  作者：Helmut Spreitzer、Andrea Pichler、Wolfgang Holzer、Martin Kratzel、Rita Slanz、Alexandra Koulouri、Petra Krenn、Ulrike Parrer、Petra Szieber

  DOI：10.3987/com-98-8401

  日期：——

  The synthesis of azanaphthoquinone annelated pyrrole derivatives is described. The [c]-annelated derivative was synthesized by reaction of an azanaphthoquinone monoketal with tosylmethyl isocyanide. The synthesis of each of the two isomeric [b]-annelated pyrrole derivatives was realized by selective acylation reactions with pyrrole. Furthermore detailed NMR spectroscopic studies (H-1,C-13) are published.

表征谱图