(1E,11E,16E,26E)-3,4:9,10:18,19:24,25-tetra(6-methoxybenzo)-5,8,20,23-tetraoxatricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,-26-octaene-31,32-dione | 1227260-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (1E,11E,16E,26E)-3,4:9,10:18,19:24,25-tetra(6-methoxybenzo)-5,8,20,23-tetraoxatricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,-26-octaene-31,32-dione
• CAS: 1227260-02-7
• 化学式: C₄₈H₄₈O₁₀
• 分子量: 784.903
• InChiKey: LPZDPPIHOXEGPE-BUPOPLJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.39
• 重原子数：
  58.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  107.98
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  1,2-bis(2-methoxy-6-formylphenoxy)ethane 、 环己酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以25%的产率得到(1E,11E,16E,26E)-3,4:9,10:18,19:24,25-tetra(6-methoxybenzo)-5,8,20,23-tetraoxatricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,-26-octaene-31,32-dione
  参考文献：
  名称：

  Molecular and Supramolecular Diversity Displayed by Dienone-Ether Macrocycles

  摘要：

  Dienone-ether macrocycles (DEMs) represent a new class of supramolecular building blocks for the preparation of crystalline materials with potentially diverse applications. A modular, building block approach to the synthesis employs a range of linked aryl aldehydes and cyclic ketones. Consequently, the structures of DEMs can be tuned with regard to size and shape and the incorporation of functional elements for specific purposes. Fourteen examples are presented, illustrating the diversity of DEMs accessible by this approach. The effect of molecular structure on conformation, supramolecular inclusion, and crystal packing is discussed.

  DOI：

  10.1021/cg100235x