1,4-Bis[[3-(6-isocyanatohexoxy)phenoxy]methyl]benzene | 1416416-52-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-Bis[[3-(6-isocyanatohexoxy)phenoxy]methyl]benzene
• 英文别名: 1,4-bis[[3-(6-isocyanatohexoxy)phenoxy]methyl]benzene
• CAS: 1416416-52-8
• 化学式: C₃₄H₄₀N₂O₆
• 分子量: 572.701
• InChiKey: KEGBFYUCTIFDJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  42
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  95.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 1,4-Bis[[3-(6-isocyanatohexoxy)phenoxy]methyl]benzene 在 二月桂酸二丁基锡 作用下， 以 氯仿 为溶剂， 反应 60.0h， 以30%的产率得到
  参考文献：
  名称：

  Catenation of Calixarene Annulus

  摘要：

  Through-the-annulus-catenated calixarenes have been obtained, for the first time, by exploiting the "superweak anion" approach that allows the threading of the calix cavity with functionalized dialkylammonium axles. In addition, the first example of a stereoprogrammed synthesis of a catenane orientational isomer (an oriented calix[2]catenane) has been obtained, after macrocyclization, by using a directional alkylbenzylammonium axle.

  DOI：

  10.1021/ol303142c
• 作为产物：
  描述：

  2-(6-(3-hydroxyphenoxy)hexyl)isoindoline-1,3-dione 在 18-冠醚-6 、 potassium carbonate 、 三乙胺 、 肼 作用下， 以 乙醇 、 水 、 甲苯 、 乙腈 为溶剂， 反应 7.0h， 生成 1,4-Bis[[3-(6-isocyanatohexoxy)phenoxy]methyl]benzene
  参考文献：
  名称：

  Catenation of Calixarene Annulus

  摘要：

  Through-the-annulus-catenated calixarenes have been obtained, for the first time, by exploiting the "superweak anion" approach that allows the threading of the calix cavity with functionalized dialkylammonium axles. In addition, the first example of a stereoprogrammed synthesis of a catenane orientational isomer (an oriented calix[2]catenane) has been obtained, after macrocyclization, by using a directional alkylbenzylammonium axle.

  DOI：

  10.1021/ol303142c

文献信息

• Catenation of Calixarene Annulus
  作者：Carmine Gaeta、Carmen Talotta、Silvia Mirra、Luigi Margarucci、Agostino Casapullo、Placido Neri

  DOI：10.1021/ol303142c

  日期：2013.1.4

  Through-the-annulus-catenated calixarenes have been obtained, for the first time, by exploiting the "superweak anion" approach that allows the threading of the calix cavity with functionalized dialkylammonium axles. In addition, the first example of a stereoprogrammed synthesis of a catenane orientational isomer (an oriented calix[2]catenane) has been obtained, after macrocyclization, by using a directional alkylbenzylammonium axle.