1-(1-(2-allyl-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butane-1,4-dione | 1105064-59-2

• 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: 1-(1-(2-allyl-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butane-1,4-dione
• CAS: 1105064-59-2
• 化学式: C₄₇H₅₅BrN₂O₁₀
• 分子量: 887.865
• InChiKey: OSLSQXHABSPPMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.06
• 重原子数：
  60.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 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：

  1-(1-(2-allyl-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butane-1,4-dione 在 palladium diacetate 、 三乙胺 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以15%的产率得到(E)-1,10-(1,2)-di(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolina)-3,8-(1,2)-di-(3,4-dimethoxy)benzenacyclo-(11,14-dioxo)propadeca-4-phene
  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：

  1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-(2''-propenyl)phenyl)methylisoquinoline 2-(4-oxo)butanoic acid 、 (+/-)-1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以82%的产率得到1-(1-(2-allyl-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-(1-(2-bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butane-1,4-dione
  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