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(43),20,22,24,26,28(42),30,32,34,36,38-henicosaene-35-carboxylic acid | 1169417-30-4

• 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: 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(43),20,22,24,26,28(42),30,32,34,36,38-henicosaene-35-carboxylic acid
• 英文别名: 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(43),20,22,24,26,28(42),30,32,34,36,38-henicosaene-35-carboxylic acid
• CAS: 1169417-30-4
• 化学式: C₈₅H₁₁₆N₈O₂
• 分子量: 1281.91
• InChiKey: BTSGIOYGJHEQQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.4
• 重原子数：
  95
• 可旋转键数：
  43
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-碘戊烷 、 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(43),20,22,24,26,28(42),30,32,34,36,38-henicosaene-35-carboxylic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 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
• 作为产物：
  描述：

  6-carboxymethyl-2,3-dicyanonaphthalene 、 3,6-dioctylphthalonitrile 在 lithium 作用下， 以 戊醇 为溶剂， 生成 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(43),20,22,24,26,28(42),30,32,34,36,38-henicosaene-35-carboxylic acid
  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

文献信息

• Mixed cyclisations giving phthalocyanine–naphthalocyanine hybrids
  作者：Andrew N. Cammidge、Victoria H.M. Goddard、Geoffrey Will、Dennis P. Arnold、Michael J Cook

  DOI：10.1016/j.tetlet.2009.03.193

  日期：2009.6

  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.