methyl 2,3-dihydro-1,2-dimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate | 244757-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 2,3-dihydro-1,2-dimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
• 英文别名: methyl 1,2-dimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
• CAS: 244757-43-5
• 化学式: C₁₅H₁₄N₂O₃
• 分子量: 270.288
• InChiKey: UVCRPUHWECMWCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲胺 、 methyl 2,3-dihydro-1,2-dimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate 以 甲醇 为溶剂， 反应 15.0h， 以87%的产率得到2,3-dihydro-1,2,N-trimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide
  参考文献：
  名称：

  Nucleophilic Substitution Reaction of 3-Acetyl-1-methoxyindole and Its Application for the Synthesis of Novel 2-Substituted Methyl 2,3-Dihydro-1-methyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylates

  摘要：

  A simple synthetic route was established for 3-acetyl-1-methoxyindole, which was found to undergo nucleophilic substitution reactions selectively at the 2-position. Applying the reaction, novel 2-substituted methyl 2,3-dihydro-1-methyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylates were prepared.

  DOI：

  10.3987/com-99-8608
• 作为产物：
  描述：

  3-acetyl-1-methoxyindole 在 potassium tert-butylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.25h， 生成 methyl 2,3-dihydro-1,2-dimethyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
  参考文献：
  名称：

  Nucleophilic Substitution Reaction of 3-Acetyl-1-methoxyindole and Its Application for the Synthesis of Novel 2-Substituted Methyl 2,3-Dihydro-1-methyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylates

  摘要：

  A simple synthetic route was established for 3-acetyl-1-methoxyindole, which was found to undergo nucleophilic substitution reactions selectively at the 2-position. Applying the reaction, novel 2-substituted methyl 2,3-dihydro-1-methyl-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylates were prepared.

  DOI：

  10.3987/com-99-8608