((((((5-(((4-ethynylbenzyl)oxy)methyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrabenzene | 1111646-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ((((((5-(((4-ethynylbenzyl)oxy)methyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrabenzene
• CAS: 1111646-99-1
• 化学式: C₅₈H₅₀O₇
• 分子量: 859.031
• InChiKey: VYOIJWRPLUKULJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.86
• 重原子数：
  65.0
• 可旋转键数：
  22.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.61
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-(azidomethyl)pyrrolidine 、 ((((((5-(((4-ethynylbenzyl)oxy)methyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrabenzene 在 copper(l) iodide 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 、 叔丁醇 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  Highly efficient and recoverable dendritic organocatalyst from click chemistry for the asymmetric michael addition of ketones to nitroolefins without the use of organic solvent

  摘要：

  A series Of pyrrolidine-triazole based dendritic catalysts have been synthesized and applied directly in the asymmetric Michael addition of ketones to nitroolefins without the use of an organic solvent. Good yields (up to 99%), and high diastereoselectivities (up to syn/anti = 45:1) and enantioselectivities (up to 95% ee) have been obtained. Furthermore. the third generation catalyst can be reused at least five times without significant loss of catalytic activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.016
• 作为产物：
  描述：

  4-乙基苄醇 、 3,5-双[3,5-双(苄氧基)苄氧基]苄溴 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以83%的产率得到((((((5-(((4-ethynylbenzyl)oxy)methyl)-1,3-phenylene)bis(oxy))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(oxy))tetrakis(methylene))tetrabenzene
  参考文献：
  名称：

  Highly efficient and recoverable dendritic organocatalyst from click chemistry for the asymmetric michael addition of ketones to nitroolefins without the use of organic solvent

  摘要：

  A series Of pyrrolidine-triazole based dendritic catalysts have been synthesized and applied directly in the asymmetric Michael addition of ketones to nitroolefins without the use of an organic solvent. Good yields (up to 99%), and high diastereoselectivities (up to syn/anti = 45:1) and enantioselectivities (up to 95% ee) have been obtained. Furthermore. the third generation catalyst can be reused at least five times without significant loss of catalytic activity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.10.016