2',2"-(1",4"-butanediyl)bis[1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxyphenyl)methyl-2-methyl]isoquinoline | 1185180-13-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2',2"-(1",4"-butanediyl)bis[1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxyphenyl)methyl-2-methyl]isoquinoline
• 英文别名: 1-[[2-[4-[2-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]butyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
• CAS: 1185180-13-5
• 化学式: C₄₆H₆₀N₂O₈
• 分子量: 768.991
• InChiKey: RQDCMDIUNZXXKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  56
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 2',2"-(1",4"-butanediyl)bis[1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxyphenyl)methyl]isoquinoline 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 乙腈 为溶剂， 反应 18.3h， 以74%的产率得到2',2"-(1",4"-butanediyl)bis[1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxyphenyl)methyl-2-methyl]isoquinoline
  参考文献：
  名称：

  The synthesis of carbon-linked bisbenzylisoquinolines via ruthenium-mediated olefin-metathesis

  摘要：

  Novel laudanosine dinners in which two laudanosine units are linked at C-2' via a two and four-carbon linker have been prepared using ruthenium-mediated olefin-metathesis. In addition, a second four-carbon linker between the two isoquinoline N-atoms was also present leading to a novel macrocyclic ring system. Five of these compounds showed higher cytostatic activity on three cancer cell lines than thalicarpine. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.094