4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxopenta-1,3-dien-1-olate | 200216-07-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxopenta-1,3-dien-1-olate
• CAS: 200216-07-5
• 化学式: C₁₇H₂₂N₂O₆
• 分子量: 350.371
• InChiKey: IWTXGZGJNOZZSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxopenta-1,3-dien-1-olate 在 氢溴酸 、 溶剂黄146 作用下， 反应 4.0h， 生成
  参考文献：
  名称：

  Synthesis of Mesomeric Betaines, Quinoliziniumides, via Back-donated 1,6-Cyclization

  摘要：

  The reaction of 3-aminopyridinium salts (4) with polarized olefins (2a,b, 3) in the presence of triethylamine yielded the corresponding 3-aminopyridinium N-allylides (5). Thermolysis of 3-aminopyridinium N-allylides (5a-c,h-j,l-n) in refluxing xylene afforded the 1,5-dipolar cyclization products, 8-aminoindolizines (6) together with the back-donated 1,6-cyclization products, quinoliziniumides (7). In addition, thermolysis of N-allylides (5a-c,h-j,l-n) in refluxing AcOH gave quinoliziniumides (7).

  DOI：

  10.3987/com-97-7948
• 作为产物：
  描述：

  3-amino-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide 、 乙氧基甲叉丙二酸二乙酯 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以73%的产率得到4-(3-aminopyridin-1-ium-1-yl)-1,5-diethoxy-2-ethoxycarbonyl-5-oxopenta-1,3-dien-1-olate
  参考文献：
  名称：

  Synthesis of Mesomeric Betaines, Quinoliziniumides, via Back-donated 1,6-Cyclization

  摘要：

  The reaction of 3-aminopyridinium salts (4) with polarized olefins (2a,b, 3) in the presence of triethylamine yielded the corresponding 3-aminopyridinium N-allylides (5). Thermolysis of 3-aminopyridinium N-allylides (5a-c,h-j,l-n) in refluxing xylene afforded the 1,5-dipolar cyclization products, 8-aminoindolizines (6) together with the back-donated 1,6-cyclization products, quinoliziniumides (7). In addition, thermolysis of N-allylides (5a-c,h-j,l-n) in refluxing AcOH gave quinoliziniumides (7).

  DOI：

  10.3987/com-97-7948

文献信息

• Synthesis of Mesomeric Betaines, Quinoliziniumides, via Back-donated 1,6-Cyclization
  作者：Yoshiro Matsuda、Keisuke Katou、Takanobu Nishiyori、Takashi Uemura、Maki Urakami

  DOI：10.3987/com-97-7948

  日期：——

  The reaction of 3-aminopyridinium salts (4) with polarized olefins (2a,b, 3) in the presence of triethylamine yielded the corresponding 3-aminopyridinium N-allylides (5). Thermolysis of 3-aminopyridinium N-allylides (5a-c,h-j,l-n) in refluxing xylene afforded the 1,5-dipolar cyclization products, 8-aminoindolizines (6) together with the back-donated 1,6-cyclization products, quinoliziniumides (7). In addition, thermolysis of N-allylides (5a-c,h-j,l-n) in refluxing AcOH gave quinoliziniumides (7).