| 1105064-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• CAS: 1105064-54-7
• 化学式: C₄₆H₄₆F₆N₂O₁₀
• 分子量: 900.869
• InChiKey: NYZUIGOUMRBLMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.62
• 重原子数：
  64.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  114.46
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 水 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以79%的产率得到
  参考文献：
  名称：

  The synthesis of carbon linked bis-benzylisoquinolines using Mizoroki–Heck and Sonagashira coupling reactions

  摘要：

  Novel laudanosine dimers in which two laudanosine units are linked at C-2' via a two or three-carbon linker (alkane, alkene or alkyne) have been prepared using palladium-catalysed cross-coupling reactions (Mizoroki-Heck and Sonagashira reactions). In one example, a second three-carbon linker between the two isoquinoline N-atoms was also present leading to a novel macrocyclic ring system. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.052
• 作为产物：
  描述：

  (RS)-1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-2-trifluoroacetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 、 2-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-ethynylphenyl)methylisoquinoline 在 copper(l) iodide 、 三乙胺 、 三苯基膦 、 palladium dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以49%的产率得到
  参考文献：
  名称：

  The synthesis of carbon linked bis-benzylisoquinolines using Mizoroki–Heck and Sonagashira coupling reactions

  摘要：

  Novel laudanosine dimers in which two laudanosine units are linked at C-2' via a two or three-carbon linker (alkane, alkene or alkyne) have been prepared using palladium-catalysed cross-coupling reactions (Mizoroki-Heck and Sonagashira reactions). In one example, a second three-carbon linker between the two isoquinoline N-atoms was also present leading to a novel macrocyclic ring system. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.10.052