5,11,17,23-tetrakis(t-butyl)-25-allyloxy-26,28-dihydroxy-27-(n-propyloxy)calix[4]arene | 816437-74-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5,11,17,23-tetrakis(t-butyl)-25-allyloxy-26,28-dihydroxy-27-(n-propyloxy)calix[4]arene
• CAS: 816437-74-8
• 化学式: C₅₀H₆₆O₄
• 分子量: 731.072
• InChiKey: FVHYBAQVWUTMFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.32
• 重原子数：
  54.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetrakis(t-butyl)-25-allyloxy-26,28-dihydroxy-27-(n-propyloxy)calix[4]arene 在 硼烷四氢呋喃络合物 、 caesium carbonate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 52.5h， 生成 5,11,17,23-tetrakis(t-butyl)-25-(3'-hydroxypropyloxy)-26,27,28-tris-(n-propyloxy)calix[4]arene
  参考文献：
  名称：

  Polymer-supported calix[4]arenes for sensing and conversion of NO2/N2O4

  摘要：

  The use of simple calix[4]arenes 1a,b for NO2/N2O4 sensing and conversion is demonstrated, both in solution and in the solid state. Upon reacting with these gases, compounds la,b encapsulate reactive NO+ cations within their cavities with the formation of deeply colored (gimel(max) similar to 570 nm) charge-transfer complexes 2a,b. Further functionalization of the calix[4]arene platform is reported for attachment to solid supports. Polymer-supported calixarene material 3 was prepared, which reversibly traps NO2/N2O4 with the formation of nitrosonium storing polymer 4. Material 4 was effectively used for nitrosation of amides. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.063
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 5,11,17,23-tetrakis(t-butyl)-25-allyloxy-26,28-dihydroxy-27-(n-propyloxy)calix[4]arene
  参考文献：
  名称：

  Polymer-supported calix[4]arenes for sensing and conversion of NO2/N2O4

  摘要：

  The use of simple calix[4]arenes 1a,b for NO2/N2O4 sensing and conversion is demonstrated, both in solution and in the solid state. Upon reacting with these gases, compounds la,b encapsulate reactive NO+ cations within their cavities with the formation of deeply colored (gimel(max) similar to 570 nm) charge-transfer complexes 2a,b. Further functionalization of the calix[4]arene platform is reported for attachment to solid supports. Polymer-supported calixarene material 3 was prepared, which reversibly traps NO2/N2O4 with the formation of nitrosonium storing polymer 4. Material 4 was effectively used for nitrosation of amides. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.063