| 683207-80-9

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 683207-80-9
• 化学式: C₆₈H₁₀₈N₈O₈P₄S₄
• 分子量: 1417.81
• InChiKey: WGWFWDNLYZFFKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.32
• 重原子数：
  92.0
• 可旋转键数：
  28.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  99.76
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  triethyloxonium fluoroborate 、 以 氯仿 、 苯 为溶剂， 反应 24.0h， 以90%的产率得到
  参考文献：
  名称：

  摘要：

  A series of aminophosphino cavitands were synthesized by reactions of dialkylaminomethyl-substituted calix[4]resorcinolarenes with hexaalkylphosphorous triamides, and their properties were studied. New aminoalkylated (thio)phosphato(phosphonato) cavitands were prepared by phosphorylation of dialkylaminomethyl-substituted calix[4]resorcinolarenes with phosphorus(V) dichlorides in the presence of a base. Their reactions with electrophilic alkylating agents (methyl trifluoromethanesulfonate, methyl iodide, and triethyloxonium tetrafluoroborate) were examined.

  DOI：

  10.1023/a:1026300817910
• 作为产物：
  描述：

  在 sulfur 作用下， 以 苯 为溶剂， 反应 8.0h， 以93%的产率得到
  参考文献：
  名称：

  摘要：

  A series of aminophosphino cavitands were synthesized by reactions of dialkylaminomethyl-substituted calix[4]resorcinolarenes with hexaalkylphosphorous triamides, and their properties were studied. New aminoalkylated (thio)phosphato(phosphonato) cavitands were prepared by phosphorylation of dialkylaminomethyl-substituted calix[4]resorcinolarenes with phosphorus(V) dichlorides in the presence of a base. Their reactions with electrophilic alkylating agents (methyl trifluoromethanesulfonate, methyl iodide, and triethyloxonium tetrafluoroborate) were examined.

  DOI：

  10.1023/a:1026300817910