(E)-2,17-Didodecyl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-19,20-diaza-dibenzo[a,e]cyclohexadecene | 207462-09-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-2,17-Didodecyl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-19,20-diaza-dibenzo[a,e]cyclohexadecene
• CAS: 207462-09-7
• 化学式: C₄₂H₆₈N₂O₄
• 分子量: 665.013
• InChiKey: XRVFJUCSCQBNAW-VGFSZAGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.83
• 重原子数：
  48.0
• 可旋转键数：
  22.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  61.64
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (E)-2,17-Didodecyl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-19,20-diaza-dibenzo[a,e]cyclohexadecene 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and electrode properties of 16-membered azo- and azoxycrown ethers. Structure of tribenzo-16-azocrown-6

  摘要：

  16-Membered benzoazo- and benzoazoxycrown ethers have been synthesized by reductive macrocyclization of respective bis(nitrophenoxy)oxaalkanes. The isomers of azocrown ethers were separated and E and Z structures were ascribed. Behavior of the compounds as ionophores in ion-selective membrane electrodes has been studied. Structure of Z isomer of 16-membered tribenzoazocrown ether has been determined. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00203-8
• 作为产物：
  描述：

  4-十二烷基-2-硝基苯酚 在 氢氧化钾 、 potassium carbonate 、 tin(ll) chloride 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 22.0h， 生成 (E)-2,17-Didodecyl-6,7,9,10,12,13-hexahydro-5,8,11,14-tetraoxa-19,20-diaza-dibenzo[a,e]cyclohexadecene
  参考文献：
  名称：

  Synthesis and electrode properties of 16-membered azo- and azoxycrown ethers. Structure of tribenzo-16-azocrown-6

  摘要：

  16-Membered benzoazo- and benzoazoxycrown ethers have been synthesized by reductive macrocyclization of respective bis(nitrophenoxy)oxaalkanes. The isomers of azocrown ethers were separated and E and Z structures were ascribed. Behavior of the compounds as ionophores in ion-selective membrane electrodes has been studied. Structure of Z isomer of 16-membered tribenzoazocrown ether has been determined. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00203-8