1,4,7,10,13,16,19-Heptaoxa-cyclodocosane-8,12,20,22-tetraone | 400030-95-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 1,4,7,10,13,16,19-Heptaoxa-cyclodocosane-8,12,20,22-tetraone
• 英文别名: 1,4,7,10,13,16,19-Heptaoxacyclodocosane-8,12,20,22-tetrone
• CAS: 400030-95-7
• 化学式: C₁₅H₂₂O₁₁
• 分子量: 378.333
• InChiKey: ATUYOEPPDDEYMA-UHFFFAOYSA-N

物化性质

• 沸点：
  734.1±60.0 °C(Predicted)
• 密度：
  1.206±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  对二甲氨基苯甲醛 、 1,4,7,10,13,16,19-Heptaoxa-cyclodocosane-8,12,20,22-tetraone 在 哌啶乙酸盐 作用下， 以 二氯甲烷 、 苯 为溶剂， 以75%的产率得到21-(4-Dimethylamino-benzylidene)-1,4,7,10,13,16,19-heptaoxa-cyclodocosane-8,12,20,22-tetraone
  参考文献：
  名称：

  Malonate Crown Ethers as Building Blocks for Novel D-π-A Chromophores

  摘要：

  [GRAPHICS]A series of new crown ethers, Incorporating a malonate ester functionality, have been synthesized and derivatized with pi-electron rich aldehydes; to give, conjugated, extended "push-pull" compounds. Their ability to bind Lewis acid-like metal cations, such as Mg2+ and Eu3+, has been characterized, and the relative stability constants are presented. When the metal cation is bound to the malonate moiety within the crown ether cavity, the D-pi-A character of the molecular structure is greatly enhanced.

  DOI：

  10.1021/ol016798o
• 作为产物：
  描述：

  malonate ester of diethylene glycol monobenzyl ether 在 palladium on activated charcoal 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 苯 为溶剂， 反应 106.0h， 生成 1,4,7,10,13,16,19-Heptaoxa-cyclodocosane-8,12,20,22-tetraone
  参考文献：
  名称：

  Malonate Crown Ethers as Building Blocks for Novel D-π-A Chromophores

  摘要：

  [GRAPHICS]A series of new crown ethers, Incorporating a malonate ester functionality, have been synthesized and derivatized with pi-electron rich aldehydes; to give, conjugated, extended "push-pull" compounds. Their ability to bind Lewis acid-like metal cations, such as Mg2+ and Eu3+, has been characterized, and the relative stability constants are presented. When the metal cation is bound to the malonate moiety within the crown ether cavity, the D-pi-A character of the molecular structure is greatly enhanced.

  DOI：

  10.1021/ol016798o

文献信息

• Methanofullerenes from Macrocyclic Malonates
  作者：Maurizio Carano、Carlo Corvaja、Luigi Garlaschelli、Michele Maggini、Massimo Marcaccio、Francesco Paolucci、Dario Pasini、Pier Paolo Righetti、Elena Sartori、Antonio Toffoletti

  DOI：10.1002/ejoc.200390044

  日期：2003.1

  In this paper we describe the synthesis and intercomparison of several new methanofullerenes, each bearing a macrocyclic crown ether containing a malonate moiety directly attached to the C60-fullerene core. Their complexing abilities with primary alkylammonium ions were investigated by NMR and mass spectrometry, and also by transport experiments through a liquid membrane. We also report on their electrochemical

  在本文中，我们描述了几种新的甲烷富勒烯的合成和相互比较，每种都带有一个大环冠醚，其中包含一个直接连接到 C60-富勒烯核心的丙二酸部分。通过核磁共振和质谱以及通过液膜的传输实验研究了它们与伯烷基铵离子的络合能力。我们还报告了它们的电化学行为，以及它们与用稳定的氮氧自由基标记的烷基铵分子的超分子复合物的 EPR 分析。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)