9,10,14,15,19,20-Hexakis(4-tert-butylphenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13,15,18(21),19-undecaene-4,5-diamine | 869063-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 9,10,14,15,19,20-Hexakis(4-tert-butylphenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13,15,18(21),19-undecaene-4,5-diamine
• 英文别名: 9,10,14,15,19,20-hexakis(4-tert-butylphenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13,15,18(21),19-undecaene-4,5-diamine
• CAS: 869063-31-0
• 化学式: C₇₆H₈₄N₁₀
• 分子量: 1137.57
• InChiKey: OWGRNHQBDWICCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.3
• 重原子数：
  86
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  161
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  9,10,14,15,19,20-Hexakis(4-tert-butylphenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13,15,18(21),19-undecaene-4,5-diamine 、 palladium diacetate 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Supramolecular squares of porphyrazines

  摘要：

  本文介绍了卟啉（Pz）方块离散阵列的设计、自组装和表征，以说明这些大环的超分子化学，并强调这些阵列具有不同于卟啉系统的类似阵列的物理化学性质。

  DOI：

  10.1039/b503439f
• 作为产物：
  描述：

  5,6,8,9,11,12-hexakis(4-tert-butylphenyl)[1,2,5]-selenadiazolo[3,4-b]porphyrazine 在 吡啶 、 硫化氢 作用下， 以 二氯甲烷 为溶剂， 生成 9,10,14,15,19,20-Hexakis(4-tert-butylphenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8(23),9,11,13,15,18(21),19-undecaene-4,5-diamine
  参考文献：
  名称：

  Synthesis, acid-base properties, and deselenation of 5,6,8,9,11,12-hexakis(4-tert-butylphenyl)[1,2,5]selenadiazolo[3,4-b]porphyrazine

  摘要：

  Cross cyclotetramerization of bis(4-tert-butylphenyl)fumaronitrile with 1,2,5-selenadiazole-3,4-dicarbonitrile in the presence of magnesium butoxide as template afforded a mixture of magnesium(II) porphyrazine complexes, from which magnesium complex of 5,6,8,9,11,12-hexakis(4-tert-butylphenyl)[1,2,5]selenadiazolo[3,4-b]porphyrazine was isolated by column chromatography and was subjected to demetalation on treatment with trifluoroacetic acid. The free ligand was found to undergo protonation at one meso-nitrogen atom in acid medium and deprotonation of one pyrrole ring to form monoanion by the action of bases. Reductive deselenation of the title compound with formation of vicinal diamino porphyrazine was studied by spectral and kinetic methods, and a mechanism involving two hydrosulfide ions was proposed.

  DOI：

  10.1134/s1070428013060195

文献信息

• Tessellation of Porphyrazines with Porphyrins by Design
  作者：Kai Fan Cheng、Ngee Ai Thai、Klaus Grohmann、Lucile C. Teague、Charles Michael Drain

  DOI：10.1021/ic060448m

  日期：2006.8.1

  functional characterization of arrays containing multiple types of chromophores will provide a basis for the design and applications of functional photonic materials that are unobtainable using only one type of molecule. The design, synthesis, and characterization of supramolecular systems bearing two different types of porphyrinic chromophores, porphyrins and porphyrazines, are reported. Because the porphyrins

  包含多种发色团的阵列的有效自组装和功能表征将为仅使用一种类型的分子无法获得的功能性光子材料的设计和应用提供基础。报道了具有两种不同类型的卟啉生色团，卟啉和卟啉的超分子系统的设计，合成和表征。因为卟啉和卟啉具有不同的环外配体用于通过金属离子配位进行自组装，所以这些系统需要新的超分子合成策略，其中以特定顺序添加反应物。这些阵列显示出源自组分发色团，金属几何形状和超分子纳米结构的独特光物理性质。
• Synthesis, acid-base properties, and deselenation of 5,6,8,9,11,12-hexakis(4-tert-butylphenyl)[1,2,5]selenadiazolo[3,4-b]porphyrazine
  作者：A. V. Kozlov、P. A. Stuzhin

  DOI：10.1134/s1070428013060195

  日期：2013.6

  Cross cyclotetramerization of bis(4-tert-butylphenyl)fumaronitrile with 1,2,5-selenadiazole-3,4-dicarbonitrile in the presence of magnesium butoxide as template afforded a mixture of magnesium(II) porphyrazine complexes, from which magnesium complex of 5,6,8,9,11,12-hexakis(4-tert-butylphenyl)[1,2,5]selenadiazolo[3,4-b]porphyrazine was isolated by column chromatography and was subjected to demetalation on treatment with trifluoroacetic acid. The free ligand was found to undergo protonation at one meso-nitrogen atom in acid medium and deprotonation of one pyrrole ring to form monoanion by the action of bases. Reductive deselenation of the title compound with formation of vicinal diamino porphyrazine was studied by spectral and kinetic methods, and a mechanism involving two hydrosulfide ions was proposed.
• Supramolecular squares of porphyrazines
  作者：Kai Fan Cheng、Ngee Ai Thai、Lucile C. Teague、Klaus Grohmann、Charles Michael Drain

  DOI：10.1039/b503439f

  日期：——

  The design, self-assembly, and characterization of discrete arrays of porphyrazine (Pz) squares are presented to illustrate the supramolecular chemistry of these macrocycles, and to highlight that these arrays have physical chemical properties that are different from similar arrays of porphyrinic systems.

  本文介绍了卟啉（Pz）方块离散阵列的设计、自组装和表征，以说明这些大环的超分子化学，并强调这些阵列具有不同于卟啉系统的类似阵列的物理化学性质。