7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-dione | 138434-68-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-dione
• CAS: 138434-68-1
• 化学式: C₆₆H₈₈N₄O₁₄
• 分子量: 1161.44
• InChiKey: QDROPAJSCOFSLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.39
• 重原子数：
  84.0
• 可旋转键数：
  0.0
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  157.86
• 氢给体数：
  0.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-diol
  参考文献：
  名称：

  Water-soluble cyclophane receptors with convergent functional groups

  摘要：

  DOI：

  10.1021/ja00030a077
• 作为产物：
  描述：

  1,20-Bis-(4-benzyloxy-phenyl)-6,9,12,15-tetraoxa-3,18-diaza-tricyclo[16.3.1.1^3,20]tricosan-21-one 在 palladium on activated charcoal 甲酸铵 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 7,10,13,16,26,31,41,44,47,50,60,65-dodecaoxa-4,19,38,53-tetrazaundecacyclo[64.2.2.222,25.232,35.256,59.12,19.12,21.14,21.136,53.136,55.138,55]dooctaconta-1(68),22(79),23,25(78),32(77),33,35(76),56,58,66,69,71-dodecaene-74,81-dione
  参考文献：
  名称：

  Water-soluble cyclophane receptors with convergent functional groups

  摘要：

  DOI：

  10.1021/ja00030a077

文献信息

• Diederich Francois, Carcanague Daniel R., Helv. Chim. Acta, 77 (1994) N 3, S 800-818
  作者：Diederich Francois, Carcanague Daniel R.

  DOI：——

  日期：——