(RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-1-[4',5'-dimethoxy-2'-(methylamino)ethylphenyl]methyl-6,7-dimethoxyisoquinoline | 1234560-39-4

• 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: (RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-1-[4',5'-dimethoxy-2'-(methylamino)ethylphenyl]methyl-6,7-dimethoxyisoquinoline
• CAS: 1234560-39-4
• 化学式: C₂₅H₃₁F₃N₂O₅
• 分子量: 496.527
• InChiKey: TZKALKWKWVJVHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69.26
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-1-[4',5'-dimethoxy-2'-(methylamino)ethylphenyl]methyl-6,7-dimethoxyisoquinoline 、 氯乙酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以72%的产率得到(RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-1-[4',5'-dimethoxy-2'-(N-(2-chloromethylcarbonyl)-N-ethylaminomethyl)phenyl]methyl-6,7-dimethoxyisoquinoline
  参考文献：
  名称：

  Synthesis of 2′-aminoalkyl-1-benzylisoquinoline derivatives and medium sized ring analogues with mu opiod receptor binding activities

  摘要：

  Novel 2'-aminoalkyl-1-benzylisoquinoline compounds and medium size ring analogues have been prepared using reductive alkylation methods. Four of these analogues were tested for biological activity across 48 different CNS receptors and were showed to have binding activities at the mu opiod receptor. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.110
• 作为产物：
  描述：

  (RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-6,7-dimethoxy-1-[4',5'-dimethoxy-2'-(2''-oxoethyl)phenyl]methylisoquinoline 、 甲胺 在 sodium cyanoborohydride 、 溶剂黄146 、 sodium carbonate 作用下， 以 水 、 乙腈 、 二氯甲烷 为溶剂， 反应 18.33h， 以62%的产率得到(RS)-2-trifluoroacetyl-1,2,3,4-tetrahydro-1-[4',5'-dimethoxy-2'-(methylamino)ethylphenyl]methyl-6,7-dimethoxyisoquinoline
  参考文献：
  名称：

  Synthesis of 2′-aminoalkyl-1-benzylisoquinoline derivatives and medium sized ring analogues with mu opiod receptor binding activities

  摘要：

  Novel 2'-aminoalkyl-1-benzylisoquinoline compounds and medium size ring analogues have been prepared using reductive alkylation methods. Four of these analogues were tested for biological activity across 48 different CNS receptors and were showed to have binding activities at the mu opiod receptor. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.03.110