2-[[35-(Pyridin-2-ylmethoxymethyl)-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-yl]methoxymethyl]pyridine | 1349895-54-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[[35-(Pyridin-2-ylmethoxymethyl)-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-yl]methoxymethyl]pyridine
• 英文别名: 2-[[35-(pyridin-2-ylmethoxymethyl)-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-yl]methoxymethyl]pyridine
• CAS: 1349895-54-0
• 化学式: C₄₂H₅₄N₂O₁₂
• 分子量: 778.897
• InChiKey: WIIUNOOICXTKGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2-[[35-(Pyridin-2-ylmethoxymethyl)-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-yl]methoxymethyl]pyridine 、 N,N'-dimethyl-4,4'-bipyridinium dihexafluorophosphate 以 氘代氯仿 、 氘代乙腈 为溶剂， 生成
  参考文献：
  名称：

  An acid–base adjustable pseudocryptand-type [2]pseudorotaxane based on a bis(meta-phenylene)-32-crown-10 derivative and paraquat

  摘要：

  A pseudocryptand-type [2]pseudorotaxane was formed via the self-assembly of a dipyridyl bis(meta-phenylene)-32-crown-10 (BMP32C10) derivative and a paraquat derivative. Due to the basicity of the pyridyl group, which forms the third pseudo-bridge of the pseudocryptand, this pseudorotaxane possesses two finite acid-base adjustable association constants. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.054
• 作为产物：
  描述：

  2-(溴甲基)吡啶氢溴酸盐 、 bis(5-hydroxymethyl-1,3-phenylene)-32-crown-10 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以92%的产率得到2-[[35-(Pyridin-2-ylmethoxymethyl)-2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-yl]methoxymethyl]pyridine
  参考文献：
  名称：

  An acid–base adjustable pseudocryptand-type [2]pseudorotaxane based on a bis(meta-phenylene)-32-crown-10 derivative and paraquat

  摘要：

  A pseudocryptand-type [2]pseudorotaxane was formed via the self-assembly of a dipyridyl bis(meta-phenylene)-32-crown-10 (BMP32C10) derivative and a paraquat derivative. Due to the basicity of the pyridyl group, which forms the third pseudo-bridge of the pseudocryptand, this pseudorotaxane possesses two finite acid-base adjustable association constants. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.054

文献信息

• An acid–base adjustable pseudocryptand-type [2]pseudorotaxane based on a bis(meta-phenylene)-32-crown-10 derivative and paraquat
  作者：Zhenbin Niu、Carla Slebodnick、Feihe Huang、Hugo Azurmendi、Harry W. Gibson

  DOI：10.1016/j.tetlet.2011.09.054

  日期：2011.11

  A pseudocryptand-type [2]pseudorotaxane was formed via the self-assembly of a dipyridyl bis(meta-phenylene)-32-crown-10 (BMP32C10) derivative and a paraquat derivative. Due to the basicity of the pyridyl group, which forms the third pseudo-bridge of the pseudocryptand, this pseudorotaxane possesses two finite acid-base adjustable association constants. (C) 2011 Elsevier Ltd. All rights reserved.