1,4,7,10,13,16,19,22-Octazapentacyclo[20.2.2.24,7.210,13.216,19]dotriacontane-2,9,14,21-tetrone | 133229-74-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,4,7,10,13,16,19,22-Octazapentacyclo[20.2.2.24,7.210,13.216,19]dotriacontane-2,9,14,21-tetrone
• CAS: 133229-74-0
• 化学式: C₂₄H₄₀N₈O₄
• 分子量: 504.633
• InChiKey: SQBTYLYGGLZUSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  94.2
• 氢给体数：
  0
• 氢受体数：
  8

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 、 哌嗪 以24%的产率得到
  参考文献：
  名称：

  KRAKOWIAK, KRZYSZTOF E.;BRABSHAW, JERALD S.;JIANG, WEIMING;DALLEY, KENT;W+, J. ORG. CHEM., 56,(1991) N, C. 2675-2680

  摘要：

  DOI：

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：——