methyl 3-((2-((1S,3R,4S,6S)-6-((R)-((4-((R)-((1S,2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazin-1-yl)oxy)(6-methoxyquinolin-4-yl)methyl)quinuclidin-3-yl)ethyl)thio)propanoate | 1041469-32-2

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 英文名称: methyl 3-((2-((1S,3R,4S,6S)-6-((R)-((4-((R)-((1S,2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazin-1-yl)oxy)(6-methoxyquinolin-4-yl)methyl)quinuclidin-3-yl)ethyl)thio)propanoate
• CAS: 1041469-32-2
• 化学式: C₅₂H₆₀N₆O₆S
• 分子量: 897.151
• InChiKey: DJSSCEDNTCHNOO-DZHVODLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  65.0
• 可旋转键数：
  17.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  121.26
• 氢给体数：
  0.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  (1S,2S,4S,5R)-5-ethyl-2-((R)-(6-methoxyquinolin-4-yl)((4-((R)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methoxy)phthalazin-1-yl)oxy)methyl)quinuclidine 、 3-巯基丙酸甲酯 在 偶氮二异丁腈 作用下， 以 苯 为溶剂， 反应 36.0h， 以84%的产率得到methyl 3-((2-((1S,3R,4S,6S)-6-((R)-((4-((R)-((1S,2S,4S,5R)-5-ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methoxy)phthalazin-1-yl)oxy)(6-methoxyquinolin-4-yl)methyl)quinuclidin-3-yl)ethyl)thio)propanoate
  参考文献：
  名称：

  Synthesis and catalytic activity of TentaGel-supported asymmetric dihydroxylation (DHQ)2PHAL ligand

  摘要：

  An efficient scheme for the synthesis and catalytic activity of TentaGel-supported Sharpless's (DHQ)(2)PHAL dihydroxylation ligand is described. Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.04.007