Dimethyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(36),15,17,19(38),33(37),34-hexaene-16,36-dicarboxylate | 941320-17-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Dimethyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(36),15,17,19(38),33(37),34-hexaene-16,36-dicarboxylate
• 英文别名: dimethyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(36),15,17,19(38),33(37),34-hexaene-16,36-dicarboxylate
• CAS: 941320-17-8
• 化学式: C₃₂H₄₄O₁₄
• 分子量: 652.693
• InChiKey: TYQGFURCDXJJPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  145
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Dimethyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(36),15,17,19(38),33(37),34-hexaene-16,36-dicarboxylate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 生成 2,5,8,11,14,16,19,22,25,28-decaoxa-1,15(1,3)-dibenzenacyclooctacosaphane-14,154-dicarboxylic acid
  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 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 Dimethyl 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(36),15,17,19(38),33(37),34-hexaene-16,36-dicarboxylate
  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.