14-(3-Chloropropyl)-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,14,16,18,20-nonaene;hexafluoroantimony(1-) | 1239617-58-3

• 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: 14-(3-Chloropropyl)-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,14,16,18,20-nonaene;hexafluoroantimony(1-)
• CAS: 1239617-58-3
• 化学式: C₂₂H₂₀ClN₂*F₆Sb
• 分子量: 583.608
• InChiKey: KJBUHZYBQCQTNU-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  7.14
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  19.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(2-(5-chloropent-1-ynyl)phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole 在 silver hexafluoroantimonate 、 [Au(Cl)PPh₃] 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以69%的产率得到14-(3-Chloropropyl)-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,14,16,18,20-nonaene;hexafluoroantimony(1-)
  参考文献：
  名称：

  Silver- and Gold-Mediated Intramolecular Cyclization to Substituted Tetracyclic Isoquinolizinium Hexafluorostilbates

  摘要：

  A convenient route for the synthesis of various charged tetracyclic isoquinolizinium hexafluorostilbates was developed using AgSbF6/AuCl(PPh3) for the intramolecular addition of amine to alkyne. The described process is tolerant of a variety of functional groups and broadens the diversity of substrates with the use of 8-substituted tetracyclic isoquinolizinium salts.

  DOI：

  10.1021/jo1006174

文献信息

• Silver- and Gold-Mediated Intramolecular Cyclization to Substituted Tetracyclic Isoquinolizinium Hexafluorostilbates
  作者：Fang Liu、Xiao Ding、Lei Zhang、Yu Zhou、Linxiang Zhao、Hualiang Jiang、Hong Liu

  DOI：10.1021/jo1006174

  日期：2010.9.3

  A convenient route for the synthesis of various charged tetracyclic isoquinolizinium hexafluorostilbates was developed using AgSbF6/AuCl(PPh3) for the intramolecular addition of amine to alkyne. The described process is tolerant of a variety of functional groups and broadens the diversity of substrates with the use of 8-substituted tetracyclic isoquinolizinium salts.