3,28-Bis(diphenylphosphoryl)-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene | 1312092-19-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,28-Bis(diphenylphosphoryl)-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene
• 英文别名: 3,28-bis(diphenylphosphoryl)-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene
• CAS: 1312092-19-5
• 化学式: C₄₆H₄₆O₈P₂
• 分子量: 788.814
• InChiKey: WKKOIZFJEQUAAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  56
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  89.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3,28-Bis(diphenylphosphoryl)-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene 在 sodium perchlorate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Allosteric P═O-Based Receptors for Dicarboxylic Acids

  摘要：

  The synthesis of new P=O-disubstituted receptors with appended crown ethers and their properties as receptors for dicarboxylic acids have been studied. High affinities have been observed (oxalic and malonic acids with 4-, 5-, 6-, or 8-crown ethers). Binding of a cationic effector within the crown ether unit resulted in a positive "allostere" effect, which has been determined to be K-rol = 7 in the best case (binding of malonic acid with Li+ @ rao-3b).

  DOI：

  10.1021/ol201277d
• 作为产物：
  描述：

  二对甲苯磺酸戊乙二醇 、 (RS)-(6,6'-dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以45%的产率得到3,28-Bis(diphenylphosphoryl)-8,11,14,17,20,23-hexaoxatricyclo[22.4.0.02,7]octacosa-1(24),2(7),3,5,25,27-hexaene
  参考文献：
  名称：

  Allosteric P═O-Based Receptors for Dicarboxylic Acids

  摘要：

  The synthesis of new P=O-disubstituted receptors with appended crown ethers and their properties as receptors for dicarboxylic acids have been studied. High affinities have been observed (oxalic and malonic acids with 4-, 5-, 6-, or 8-crown ethers). Binding of a cationic effector within the crown ether unit resulted in a positive "allostere" effect, which has been determined to be K-rol = 7 in the best case (binding of malonic acid with Li+ @ rao-3b).

  DOI：

  10.1021/ol201277d