Methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate | 1048386-62-4

• 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: Methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate
• 英文别名: methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate
• CAS: 1048386-62-4
• 化学式: C₃₂H₃₀O₇
• 分子量: 526.586
• InChiKey: JPJDOLZLMPOZGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  39
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001
• 作为产物：
  描述：

  Methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate 、 Methyl 2-(phenylmethoxymethyl)-4-(trifluoromethylsulfonyloxy)benzoate 在 palladium diacetate potassium carbonate 作用下， 以 甲苯 为溶剂， 以71%的产率得到Methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001