4,13,22-Tribenzyl-1,4,7,10,13,16,19,22,25-nonazatetracyclo[23.2.2.27,10.216,19]tritriacontane-2,6,11,15,20,24-hexone | 133270-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4,13,22-Tribenzyl-1,4,7,10,13,16,19,22,25-nonazatetracyclo[23.2.2.27,10.216,19]tritriacontane-2,6,11,15,20,24-hexone
• CAS: 133270-11-8
• 化学式: C₄₅H₅₇N₉O₆
• 分子量: 820.004
• InChiKey: QXHWQWQWJVQBFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  60
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-氯-1-[4-(2-氯乙酰基)哌嗪-1-基]-乙酮 、 苄胺 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 以20%的产率得到4,13,22-Tribenzyl-1,4,7,10,13,16,19,22,25-nonazatetracyclo[23.2.2.27,10.216,19]tritriacontane-2,6,11,15,20,24-hexone
  参考文献：
  名称：

  Preparation and structural properties of large-cavity peraza macrocycles containing pyridine, phenanthroline, or piperazine subcyclic units

  摘要：

  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.

  DOI：

  10.1021/jo00008a019

文献信息

• 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：——