1-[[3-Chloro-5-[2,6-dichloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | 1246431-57-1

• 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
• 英文名称: 1-[[3-Chloro-5-[2,6-dichloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• CAS: 1246431-57-1
• 化学式: C₃₇H₃₉Cl₃N₂O₆
• 分子量: 714.085
• InChiKey: JYSZSSZIVQRNDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 1-[[3-Chloro-5-[2,6-dichloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以100%的产率得到1-(3-chloro-5-(2,6-dichloro-4-((6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl)phenoxy)-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Electrochemical construction of the diaryl ethers: a synthetic approach to o-methylthalibrine

  摘要：

  Electrochemical dimerization of halogenated p-hydroxyphenylacetic acid derivatives followed by Zn reduction provided the corresponding diaryl ethers. Manipulation of the reduction step using several procedures increased its efficiency, which enabled the construction of o-methylthalibrine, an isoquinoline-class alkaloid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.037
• 作为产物：
  描述：

  2-[3-chloro-5-[2,6-dichloro-4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]phenoxy]-4-methoxyphenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 在 三氯氧磷 、 sodium tetrahydroborate 作用下， 以 甲苯 为溶剂， 以34%的产率得到1-[[3-Chloro-5-[2,6-dichloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Electrochemical construction of the diaryl ethers: a synthetic approach to o-methylthalibrine

  摘要：

  Electrochemical dimerization of halogenated p-hydroxyphenylacetic acid derivatives followed by Zn reduction provided the corresponding diaryl ethers. Manipulation of the reduction step using several procedures increased its efficiency, which enabled the construction of o-methylthalibrine, an isoquinoline-class alkaloid. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.037