4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane-19,21-dione | 61696-68-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane-19,21-dione
• 英文别名: 4,7,13,16-tetraoxa-1,10-diazatricyclo[8.8.7.120,24]hexacosa-20(26),21,23-triene-19,25-dione
• CAS: 61696-68-2
• 化学式: C₂₀H₂₈N₂O₆
• 分子量: 392.452
• InChiKey: WRJOEPBKWXPEJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  636.6±55.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.66
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,7,13,16-tetraoxa-1,10-diaza-20(1,3)-benzena-bicyclo[8.8.3]heneicosaphane-19,21-dione 在 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 为溶剂， 生成 4,7,13,16-Tetraoxa-1,10-diazatricyclo[8.8.7.1,20,24]hexacosa-20,22,24(26)-triene
  参考文献：
  名称：

  Buhleier,E. et al., Chemische Berichte, 1979, vol. 112, p. 546 - 558

  摘要：

  DOI：
• 作为产物：
  描述：

  二氮杂18-冠醚-6 、 间苯二甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 1.0h， 以20%的产率得到12,15,29,32,37,40,46,49-Octaoxa-1,9,18,26-tetrazapentacyclo[24.8.8.89,18.13,7.120,24]dopentaconta-3(52),4,6,20,22,24(43)-hexaene-2,8,19,25-tetrone
  参考文献：
  名称：

  Multiring macrocycles bearing diaza-18-crown-6 units: preparation and characterization by electrospray mass spectrometry

  摘要：

  Two new macropolycycles with large cavities, 2 and 3, were isolated in addition to known cryptand amide 1 following the high-dilution reaction of isophthaloyl dichloride and 1,10-diaza-18-crown-6 in toluene. Electrospray ionization mass spectrometry (ESI-MS) was applied for analysis and characterization of the reaction mixture of 1, 2, 3, and higher derivatives and the corresponding pure products as monocharged 1:1 complexes with sodium ion. Macrotricyclic amide 2 was reduced with borane to give cryptand 6. Structures of all mentioned compounds were supported by H-1 NMR, and 6 was also confirmed by X-ray crystallography.

  DOI：

  10.1021/jo00058a021

文献信息

• Preparation of Bicyclic Crown Ethers Containing Amide Groups: Coordination of the Oxygen Atoms of the Amide Groups
  作者：Takeshi Kumagai、Sadatoshi Akabori

  DOI：10.1246/bcsj.62.3021

  日期：1989.9

  9,12,23,26,31,36-Hexaoxa-1,6,15,20-tetraaza-3,4: 17,18-dibenzotricyclo[18.8.5.56,15]octatriaconta-3,17-diene-2, 5,16,19-tetraone (7a) was obtained by the reaction of phthaloyl dichloride with 1,4,10-trioxa-7,13-diazacyclopentadecane in 38% yield, and related compounds were prepared by a similar method. Compound 7a showed high extraction abilities toward alkali, alkaline earth, and other metal cations (Ag+, Tl+, and Pb2+), especially lithium and sodium cations.

  9,12,23,26,31,36-六氧-1,6,15,20-四氮-3,4: 17,18-二苯三环[18.8.5.56,15]八三三烯-2, 5,16,19-四酮（7a）是通过酞二氯化物与1,4,10-三氧-7,13-二氮环戊十五烷反应得到的，产率为38%，相关化合物也采用类似方法制备。化合物7a对碱金属、碱土金属及其他金属阳离子（Ag+、Tl+和Pb2+）表现出较强的提取能力，尤其是锂和钠阳离子。
• Ligandstruktur und komplexierung, VIII: Pyridinophan-Kryptate
  作者：Von Winfried Wehner、Fritz Vögtle

  DOI：10.1016/s0040-4039(00)91745-3

  日期：1976.7