N-[2-(1H-indol-3-yl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide | 462092-98-4

• 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: N-[2-(1H-indol-3-yl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
• CAS: 462092-98-4
• 化学式: C₁₉H₂₄N₂O₃
• 分子量: 328.411
• InChiKey: UXLBIJVYUILFQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  63.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-[2-(1H-indol-3-yl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide 在 sodium tetrahydroborate 、 三氯氧磷 作用下， 以 乙醇 、 苯 为溶剂， 反应 4.0h， 生成 1-(1,4-dioxaspiro[4.5]decan-8-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
  参考文献：
  名称：

  Synthesis of tacamonine

  摘要：

  Tacamonine has been synthesized in 3.2% overall yield from cyclohexanone-4-carboxylic acid ethyleneacetal. The tetrahydro-beta-carboline intermediate was submitted to a Mannich reaction to provide a bridged ring system embodying latent branches of the quinolizidine portion. The final stages included fragmentation and Grignard reaction. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00395-2
• 作为产物：
  描述：

  环己酮-4-羧酸乙烯缩醛 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 生成 N-[2-(1H-indol-3-yl)ethyl]-1,4-dioxaspiro[4.5]decane-8-carboxamide
  参考文献：
  名称：

  Synthesis of tacamonine

  摘要：

  Tacamonine has been synthesized in 3.2% overall yield from cyclohexanone-4-carboxylic acid ethyleneacetal. The tetrahydro-beta-carboline intermediate was submitted to a Mannich reaction to provide a bridged ring system embodying latent branches of the quinolizidine portion. The final stages included fragmentation and Grignard reaction. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)00395-2