| 1428974-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• CAS: 1428974-54-2
• 化学式: C₁₈H₂₂N₂O₂
• 分子量: 298.385
• InChiKey: YIYWDLDEEWVWGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.36
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.06
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 对甲苯磺酸 作用下， 以 水 、 丙酮 、 苯 为溶剂， 反应 16.0h， 生成 9-(1H-indol-3-yl)-1-azabicyclo[4.2.1]nonan-5-one
  参考文献：
  名称：

  A synthetic approach to the actinophyllic acid molecular architecture

  摘要：

  Compounds 3a and 3b with the 1-azabicyclo[4.2.1]nonane ring system present in actinophyllic acid, have been synthesized. The method involves the intramolecular acid induced cyclization of the azafulvene 7 (formed between indole-3-carbaldehyde 5 and the azocan-5-one ethyleneketal 4b) into 3b in 48-60% yield as the key reaction. X-ray analyses of 3a and 3b showed they have the 'wrong' stereochemistry (indole-anti to the 7-member ring) for its use as a potential intermediate in an eventual synthesis of actinophyllic acid 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.050
• 作为产物：
  描述：

  2,2-bis-(3-chloro-propyl)-[1,3]dioxolane 在 四丁基氢氧化铵 、 四丁基碘化铵 、 sodium carbonate 、 苯硫酚 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙腈 、 苯 为溶剂， 生成
  参考文献：
  名称：

  A synthetic approach to the actinophyllic acid molecular architecture

  摘要：

  Compounds 3a and 3b with the 1-azabicyclo[4.2.1]nonane ring system present in actinophyllic acid, have been synthesized. The method involves the intramolecular acid induced cyclization of the azafulvene 7 (formed between indole-3-carbaldehyde 5 and the azocan-5-one ethyleneketal 4b) into 3b in 48-60% yield as the key reaction. X-ray analyses of 3a and 3b showed they have the 'wrong' stereochemistry (indole-anti to the 7-member ring) for its use as a potential intermediate in an eventual synthesis of actinophyllic acid 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.050