1-N,1-N,3-N,3-N,5-N,5-N-hexakis[(4-but-3-enoxyphenyl)methyl]benzene-1,3,5-tricarboxamide | 1233704-23-8

• 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: 1-N,1-N,3-N,3-N,5-N,5-N-hexakis[(4-but-3-enoxyphenyl)methyl]benzene-1,3,5-tricarboxamide
• CAS: 1233704-23-8
• 化学式: C₇₅H₈₁N₃O₉
• 分子量: 1168.48
• InChiKey: SGBBADDNMCLVJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  87
• 可旋转键数：
  39
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-N,1-N,3-N,3-N,5-N,5-N-hexakis[(4-but-3-enoxyphenyl)methyl]benzene-1,3,5-tricarboxamide 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis and structure of a bowl-like molecule by threefold metathesis reactions

  摘要：

  A bowl-like molecule was designed and efficiently synthesized by threefold metathesis reactions, and its structure was determined by NMR, MALDI-TOF MS spectrum, and X-ray crystallographic analysis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.031
• 作为产物：
  描述：

  bis(p-(but-3-enyloxy)benzyl)amine 、 1,3,5-苯三甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以520 mg的产率得到1-N,1-N,3-N,3-N,5-N,5-N-hexakis[(4-but-3-enoxyphenyl)methyl]benzene-1,3,5-tricarboxamide
  参考文献：
  名称：

  Synthesis and structure of a bowl-like molecule by threefold metathesis reactions

  摘要：

  A bowl-like molecule was designed and efficiently synthesized by threefold metathesis reactions, and its structure was determined by NMR, MALDI-TOF MS spectrum, and X-ray crystallographic analysis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.031

文献信息

• Synthesis and structure of a bowl-like molecule by threefold metathesis reactions
  作者：Jing Cao、Zhi-Ping Song、Xiao-Zhang Zhu、Chuan-Feng Chen

  DOI：10.1016/j.tetlet.2010.04.031

  日期：2010.6

  A bowl-like molecule was designed and efficiently synthesized by threefold metathesis reactions, and its structure was determined by NMR, MALDI-TOF MS spectrum, and X-ray crystallographic analysis. (C) 2010 Elsevier Ltd. All rights reserved.