(2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methan-1-yl-1-ylidene)dicyclohexanone | 1134878-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methan-1-yl-1-ylidene)dicyclohexanone
• 英文别名: (2E)-2-[[2-[2-[2-[(E)-(2-oxocyclohexylidene)methyl]phenoxy]ethoxy]phenyl]methylidene]cyclohexan-1-one
• CAS: 1134878-29-7
• 化学式: C₂₈H₃₀O₄
• 分子量: 430.544
• InChiKey: FHHDPFYOXSDTOV-FLFKKZLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methan-1-yl-1-ylidene)dicyclohexanone 、 1,5-bis(benzaldehydeoxy)-3-oxopentane 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 (31E,33E,121E,123E)-6,9,15,18,21-pentaoxa-1,5,10,14(1,2)-tetrabenzena-3,12(1,3)-dicyclohexanacyclohenicosaphane-32,122-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
• 作为产物：
  描述：

  2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 、 环己酮 在 二甲基铵-二甲基 作用下， 生成 (2E,2'E)-2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methan-1-yl-1-ylidene)dicyclohexanone
  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