(2E,7E,10E,15E)-3,7,11,15-tetraaza-1,9(2,9)-diphenanthrolinacyclohexadecaphane-2,7,10,15-tetraene | 133229-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: (2E,7E,10E,15E)-3,7,11,15-tetraaza-1,9(2,9)-diphenanthrolinacyclohexadecaphane-2,7,10,15-tetraene
• CAS: 133229-76-2
• 化学式: C₃₄H₂₈N₈
• 分子量: 548.65
• InChiKey: ANRYVKMMDDTBLL-NCEBZEIZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  42.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  101.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  barium trifluoromethanesulfonate 、 (2E,7E,10E,15E)-3,7,11,15-tetraaza-1,9(2,9)-diphenanthrolinacyclohexadecaphane-2,7,10,15-tetraene 以 四氢呋喃 为溶剂， 反应 5.0h， 以60%的产率得到
  参考文献：
  名称：

  由席夫碱大环化合物夹着的钡 (II) 配合物的结构

  摘要：

  研究了由二亚胺和菲咯啉二甲醛[2+2]缩合制备的八氮席夫碱大环夹心钡配合物；揭示了配合物的十配位结构和配位吸收强度的增加。

  DOI：

  10.1246/bcsj.81.358
• 作为产物：
  描述：

  1,10-菲啰啉-2,9-二甲醛 、 1,3-丙二胺 以 甲醇 为溶剂， 反应 3.0h， 以39%的产率得到(2E,7E,10E,15E)-3,7,11,15-tetraaza-1,9(2,9)-diphenanthrolinacyclohexadecaphane-2,7,10,15-tetraene
  参考文献：
  名称：

  由席夫碱大环化合物夹着的钡 (II) 配合物的结构

  摘要：

  研究了由二亚胺和菲咯啉二甲醛[2+2]缩合制备的八氮席夫碱大环夹心钡配合物；揭示了配合物的十配位结构和配位吸收强度的增加。

  DOI：

  10.1246/bcsj.81.358

文献信息

• Preparation and structural properties of large-cavity peraza macrocycles containing pyridine, phenanthroline, or piperazine subcyclic units
  作者：Krzysztof E. Krakowiak、Jerald S. Bradshaw、Weiming Jiang、N. Kent Dalley、Geng Wu、Reed M. Izatt

  DOI：10.1021/jo00008a019

  日期：1991.4

  Ten large peraza macrocycles containing either two pyridine, two phenanthroline, or three, four, or six piperazine subcyclic groups have been prepared. Those containing pyridine or phenanthroline were prepared by reacting either 2,6-pyridinedicarbaldehyde or its dimethyl ketone analogue or 1,10-phenanthroline-2,9-dicarbaldehyde with the appropriate bisprimary amine to form the cyclic tetraSchiff base. Those macrocycles containing the piperazine units were prepared by the reaction of a crablike piperazine-containing bis(alpha-chloro amide) (formed from piperazine and 2 mol of chloroacetyl chloride) and piperazine to give tetrapiperazinoperaza-24-crown-8-tetramide, the 2:2 cyclization product, and hexapiperazinoperaza-36-crown-12-hexamide, the 3:3 cyclization product. The macrocyclic hexamide was fully reduced to form the hexapiperazino-36-crown-12 ligand. The reaction of equimolar amounts of the crablike piperazine-containing bis(alpha-chloro amide) and benzylamine gave N,N',N"-tribenzyltripiperazinoperaza-27-crown-9-hexamide. The structures of one of the diphenanthrolinoperaza-crowns and of the tetrapiperazinoperaza-24-crown-8-tetramide were determined by an X-ray crystallographic procedure. The diphenanthrolino-crowns contained water molecules as shown by their combustion analyses. These water molecules were replaced by solvent molecules as shown by two molecules of dimethylformamide in the solid-state structure of one phenanthrolino-crown. The dipyridinoperaza-crown formed a highly protonated ligand at neutral pH.
• KRAKOWIAK, KRZYSZTOF E.;BRABSHAW, JERALD S.;JIANG, WEIMING;DALLEY, KENT;W+, J. ORG. CHEM., 56,(1991) N, C. 2675-2680
  作者：KRAKOWIAK, KRZYSZTOF E.、BRABSHAW, JERALD S.、JIANG, WEIMING、DALLEY, KENT、W+

  DOI：——

  日期：——