2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)-N-[4-({[2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)acetyl]amino}methyl)benzyl]acetamide | 1192045-21-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)-N-[4-({[2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)acetyl]amino}methyl)benzyl]acetamide
• CAS: 1192045-21-8
• 化学式: C₃₂H₄₄N₂O₁₀
• 分子量: 616.709
• InChiKey: MIJIORPOJWDRMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  44.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  132.04
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)-N-[4-({[2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)acetyl]amino}methyl)benzyl]acetamide 在 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以94%的产率得到1-{4-[(2,6-dioxo-2,3,3a,4,5,6-hexahydro-1H-indol-1-yl)methyl]benzyl}-3,3a,4,5-tetrahydro-1H-indole-2,6-dione
  参考文献：
  名称：

  乙缩醛保护的（2,4-Dioxocyclohex-1-yl）乙酰胺的酸催化环化反应合成2,6-二氧-1,2,3,4,5,6-六氢吲哚并将其转化为5,8， 9,10-四氢-6 H-吲哚并[2,1- a ]异喹啉-9-一

  摘要：

  Abstractmagnified imageAcetal‐protected (2,4‐dioxocyclohex‐1‐yl)acetic acids were prepared by allylation of dilithiated 1,3‐cyclohexane‐1,3‐diones, protection of the carbonyl groups and oxidation of the alkene moiety. Their reaction with amines afforded the corresponding amides which were transformed, by acid‐catalyzed cyclization, into various 2,6‐dioxo‐1,2,3,4,5,6‐hexahydroindoles. The reaction of the latter with triflic acid resulted in the formation of novel 5,8,9,10‐tetrahydro‐6H‐indolo[2,1‐a]isoquinolin‐9‐ones.

  DOI：

  10.1002/adsc.200800691
• 作为产物：
  描述：

  2-(1,4,8,11-四氧杂二螺[4.1.4.3]十四碳-12-基)乙酸 、 1,4-苯二甲胺 在 N-羟基丁二酰亚胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以59%的产率得到2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)-N-[4-({[2-(1,4,8,11-tetraoxadispiro[4.1.4.3]tetradec-12-yl)acetyl]amino}methyl)benzyl]acetamide
  参考文献：
  名称：

  乙缩醛保护的（2,4-Dioxocyclohex-1-yl）乙酰胺的酸催化环化反应合成2,6-二氧-1,2,3,4,5,6-六氢吲哚并将其转化为5,8， 9,10-四氢-6 H-吲哚并[2,1- a ]异喹啉-9-一

  摘要：

  Abstractmagnified imageAcetal‐protected (2,4‐dioxocyclohex‐1‐yl)acetic acids were prepared by allylation of dilithiated 1,3‐cyclohexane‐1,3‐diones, protection of the carbonyl groups and oxidation of the alkene moiety. Their reaction with amines afforded the corresponding amides which were transformed, by acid‐catalyzed cyclization, into various 2,6‐dioxo‐1,2,3,4,5,6‐hexahydroindoles. The reaction of the latter with triflic acid resulted in the formation of novel 5,8,9,10‐tetrahydro‐6H‐indolo[2,1‐a]isoquinolin‐9‐ones.

  DOI：

  10.1002/adsc.200800691