35-Tert-butyl-5,8,14,17,23,26-hexaoctyl-2,11,20,29,41,42,43,44-octazadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(40),2,4,6,8,10(44),11,13,15,17,19,21(42),22,24,26,28,30,32,34,36,38-henicosaene | 1169417-23-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 35-Tert-butyl-5,8,14,17,23,26-hexaoctyl-2,11,20,29,41,42,43,44-octazadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(40),2,4,6,8,10(44),11,13,15,17,19,21(42),22,24,26,28,30,32,34,36,38-henicosaene
• 英文别名: 35-tert-butyl-5,8,14,17,23,26-hexaoctyl-2,11,20,29,41,42,43,44-octazadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(40),2,4,6,8,10(44),11,13,15,17,19,21(42),22,24,26,28,30,32,34,36,38-henicosaene
• CAS: 1169417-23-5
• 化学式: C₈₈H₁₂₄N₈
• 分子量: 1294.01
• InChiKey: KZQIVQOQCIQFMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  34
• 重原子数：
  96
• 可旋转键数：
  43
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  35-Tert-butyl-5,8,14,17,23,26-hexaoctyl-2,11,20,29,41,42,43,44-octazadecacyclo[28.10.1.13,10.112,19.121,28.04,9.013,18.022,27.031,40.033,38]tetratetraconta-1(40),2,4,6,8,10(44),11,13,15,17,19,21(42),22,24,26,28,30,32,34,36,38-henicosaene 在 zinc diacetate 作用下， 生成
  参考文献：
  名称：

  Mixed cyclisations giving phthalocyanine–naphthalocyanine hybrids

  摘要：

  Mixed cyclisations have been performed to give phthalocyanine-naphthalocyanine hybrids bearing solubilising substituents. Reactivity differences between the two phthalonitrile precursors result in inefficient mixed-macrocyclisation under standard, non-templating conditions leading to predominant formation of symmetrical phthalocyanine. Templated mixed-macrocyclisation leads to the hybrids. However, the reaction proceeds with unexpected selectivity with only one of the possible 2:2 products observed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.193