25,26,27,28-O-tetra(trifluoroacetyl)calix[4]arene | 914773-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 25,26,27,28-O-tetra(trifluoroacetyl)calix[4]arene
• 英文别名: [26,27,28-Tris[(2,2,2-trifluoroacetyl)oxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl] 2,2,2-trifluoroacetate
• CAS: 914773-58-3
• 化学式: C₃₆H₂₀F₁₂O₈
• 分子量: 808.531
• InChiKey: PORSXONTKOGZJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  56
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  25,26,27,28-O-tetra(trifluoroacetyl)calix[4]arene 、 3-phenyl-1,2,4-triazin-5-one 、 三氟乙酸酐 在 三氟乙酸 作用下， 反应 168.0h， 生成
  参考文献：
  名称：

  One-Step Heterylation at the Upper Rim of Calix[4]arene with 1,2,4-Triazin-5(2H)-ones

  摘要：

  A convenient way to modify calix[4]arenes based on the direct C-C coupling reaction of their phenol moiety with 1,2,4-triazines has been advanced, and the ability of modified calixarenes to provide transport of La3+ and Ga3+ cations through organic membranes has been examined.

  DOI：

  10.1021/jo061069d
• 作为产物：
  描述：

  杯[4]芳烃 、 三氟乙酸酐 在 三氟乙酸 作用下， 反应 0.67h， 以67%的产率得到25,26,27,28-O-tetra(trifluoroacetyl)calix[4]arene
  参考文献：
  名称：

  One-Step Heterylation at the Upper Rim of Calix[4]arene with 1,2,4-Triazin-5(2H)-ones

  摘要：

  A convenient way to modify calix[4]arenes based on the direct C-C coupling reaction of their phenol moiety with 1,2,4-triazines has been advanced, and the ability of modified calixarenes to provide transport of La3+ and Ga3+ cations through organic membranes has been examined.

  DOI：

  10.1021/jo061069d

文献信息

• One-Step Heterylation at the Upper Rim of Calix[4]arene with 1,2,4-Triazin-5(2<i>H</i>)-ones
  作者：Dmitry G. Beresnev、Nadezhda A. Itsikson、Oleg N. Chupakhin、Valery N. Charushin、Mikhail I. Kodess、Alexander I. Butakov、Gennady L. Rusinov、Yuri Yu. Morzherin、Alexander I. Konovalov、Igor S. Antipin

  DOI：10.1021/jo061069d

  日期：2006.10.1

  A convenient way to modify calix[4]arenes based on the direct C-C coupling reaction of their phenol moiety with 1,2,4-triazines has been advanced, and the ability of modified calixarenes to provide transport of La3+ and Ga3+ cations through organic membranes has been examined.