Methyl 2-[2-[2-[2-[2-(2-methoxycarbonyl-5-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-phenylmethoxybenzoate | 941320-15-6

• 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 2-[2-[2-[2-[2-(2-methoxycarbonyl-5-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-phenylmethoxybenzoate
• 英文别名: methyl 2-[2-[2-[2-[2-(2-methoxycarbonyl-5-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-phenylmethoxybenzoate
• CAS: 941320-15-6
• 化学式: C₃₈H₄₂O₁₁
• 分子量: 674.745
• InChiKey: LEFITKOASAOIED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  49
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Methyl 2-[2-[2-[2-[2-(2-methoxycarbonyl-5-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-phenylmethoxybenzoate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以100%的产率得到Methyl 4-hydroxy-2-[2-[2-[2-[2-(5-hydroxy-2-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzoate
  参考文献：
  名称：

  Paraquat guest induced hydrogen-bonding modes of a hydrazide-derived bis(meta-phenylene)-32-crown-10 host in the solid state

  摘要：

  hydrazide-derived bis(meta-phenylene)-32-crown-10 host showed a dimeric structure via quadruple N-H center dot center dot center dot O hydrogen bonds, but a polymeric structure via two N-H center dot center dot center dot O hydrogen bonds and two C-H center dot center dot center dot O hydrogen bonds at each knot in the presence of paraquat in the solid state, which led to a novel poly(taco complex) and ordering arrangement of the guest molecules indirectly. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.03.116
• 作为产物：
  描述：

  四乙二醇二对甲苯磺酸酯 、 4-(苄氧基)-2-羟基苯甲酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以81%的产率得到Methyl 2-[2-[2-[2-[2-(2-methoxycarbonyl-5-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-phenylmethoxybenzoate
  参考文献：
  名称：

  Paraquat guest induced hydrogen-bonding modes of a hydrazide-derived bis(meta-phenylene)-32-crown-10 host in the solid state

  摘要：

  hydrazide-derived bis(meta-phenylene)-32-crown-10 host showed a dimeric structure via quadruple N-H center dot center dot center dot O hydrogen bonds, but a polymeric structure via two N-H center dot center dot center dot O hydrogen bonds and two C-H center dot center dot center dot O hydrogen bonds at each knot in the presence of paraquat in the solid state, which led to a novel poly(taco complex) and ordering arrangement of the guest molecules indirectly. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2007.03.116

文献信息

• Paraquat guest induced hydrogen-bonding modes of a hydrazide-derived bis(meta-phenylene)-32-crown-10 host in the solid state
  作者：Yong Yang、Hai-Yu Hu、Chuan-Feng Chen

  DOI：10.1016/j.tetlet.2007.03.116

  日期：2007.5

  hydrazide-derived bis(meta-phenylene)-32-crown-10 host showed a dimeric structure via quadruple N-H center dot center dot center dot O hydrogen bonds, but a polymeric structure via two N-H center dot center dot center dot O hydrogen bonds and two C-H center dot center dot center dot O hydrogen bonds at each knot in the presence of paraquat in the solid state, which led to a novel poly(taco complex) and ordering arrangement of the guest molecules indirectly. (C) 2007 Published by Elsevier Ltd.