2-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-((trimethylsilyl)ethynyl)phenyl)methylisoquinoline | 1105064-51-4

• 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-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-((trimethylsilyl)ethynyl)phenyl)methylisoquinoline
• CAS: 1105064-51-4
• 化学式: C₂₇H₃₂F₃NO₅Si
• 分子量: 535.635
• InChiKey: HZHROBTXPJWWOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.18
• 重原子数：
  37.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.23
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-((trimethylsilyl)ethynyl)phenyl)methylisoquinoline 在 potassium fluoride 、 水 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以54%的产率得到2-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-ethynylphenyl)methylisoquinoline
  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 、 三甲基乙炔基硅 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 96.0h， 以92%的产率得到2-(trifluoroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(4',5'-dimethoxy-2'-((trimethylsilyl)ethynyl)phenyl)methylisoquinoline
  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