9,10,21,22-tetrahydroxy-7,12,19,24-tetraoxo-2,3,4,5:8,9,10,11:14,15,16,17:20,21,22,23-tetrabenzena-1,6,13,18-tetraazacyclotetracosane | 288290-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 9,10,21,22-tetrahydroxy-7,12,19,24-tetraoxo-2,3,4,5:8,9,10,11:14,15,16,17:20,21,22,23-tetrabenzena-1,6,13,18-tetraazacyclotetracosane
• 英文别名: 5,6,17,18-Tetrahydroxy-2,9,14,21-tetrazapentacyclo[20.2.2.24,7.210,13.216,19]dotriaconta-1(25),4,6,10,12,16,18,22(26),23,27,29,31-dodecaene-3,8,15,20-tetrone
• CAS: 288290-92-6
• 化学式: C₂₈H₂₀N₄O₈
• 分子量: 540.489
• InChiKey: OPWZNDDYTCEOGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  197
• 氢给体数：
  8
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  potassium hydroxide 、 bis(acetylacetonate)oxovanadium 、 9,10,21,22-tetrahydroxy-7,12,19,24-tetraoxo-2,3,4,5:8,9,10,11:14,15,16,17:20,21,22,23-tetrabenzena-1,6,13,18-tetraazacyclotetracosane 以 乙醇 为溶剂， 以60%的产率得到K2VO(9,10,21,22-tetraoxy-7,12-19,24-tetraoxo-2,3,4,5:8,9,10,11:14,15,16,17:20,21,22,23-tetrabenzena-1,6,13,18-tetraazacyclotetracosane)
  参考文献：
  名称：

  Synthesis and characterization of a novel macrocyclic ligand containing catechol donor groups and its oxovanadium(IV) complex

  摘要：

  A novel macrocyclic ligand containing catechol moieties, 9,10,21,22-tehrahydroxy-7,12,19,24-tetraoxo-2,3,4,5:8,9,10,11:14,15,16, 17:20,21,22,23-tetrabenzena-1,6,13,18-tctraazacyclotetracosane (H4L), was designed and synthesized. For comparison, an acyclic ligand, 1,4-bis(2,3-dihydroxybenzammido)benzene (H4La), was also synthesized. Their oxovanadium(IV) complexes K(ppn)[VO(L)] and K-2[VO(L-a)] were prepared and characterized by IR, UV-Vis and ESR spectroscopies. The ESR spectra of the complexes measured at 77 K in diethyl sulfoxide-ethanol revealed unusual rhombic characteristics of the complexes, suggesting the coordination geometry of the complexes was distorted square-pyramidal. Based on these data, the complex is proposed to possess a bowl-like structure capped by the VO2+ moiety with a hydrophobic cavity. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00387-9