3,6,9,12-tetrakis(diethoxyphosphoryl)-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: 3,6,9,12-tetrakis(diethoxyphosphoryl)-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
• 英文别名: 3,6,9,12-Tetrakis(diethoxyphosphoryl)-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene
• 化学式: C₂₉H₅₉N₅O₁₂P₄
• 分子量: 793.709
• InChiKey: UJVGMGRNBJMVLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  50
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  3,6,9,12-tetrakis(diethoxyphosphoryl)-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以86%的产率得到3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
  参考文献：
  名称：

  Diethoxyphosphoryl as a Protecting-Activating Group in the Synthesis of Polyazacyclophanes

  摘要：

  The fully diethoxyphosphoryl(Dep)-protected polyamines 1b-3b were prepared from the corresponding polyamines with 'diethyl phosphite' (= diethyl phosphonate) and CCl4 in a solid base/organic liquid two-phase system in the presence of Bu4NBr as phase-transfer catalyst. Subsequent phase-transfer-catalyzed alkylation of phosphoramidates 1b-3b with bis(chloromethyl)arenes 5-8 in the presence of Bu4N(HSO4) followed by deprotection gave good yields of polyazacyclophanes 9a-16a.

  DOI：

  10.1002/(sici)1522-2675(20000412)83:4<793::aid-hlca793>3.0.co;2-3
• 作为产物：
  描述：

  2,6-二氯甲基吡啶 、 N,N'-1,2-乙烷二基二[N-[2-[(二乙氧基亚膦酰)氨基]乙基]-氨基磷酸 P,P,P',P'-四乙基酯 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以80%的产率得到3,6,9,12-tetrakis(diethoxyphosphoryl)-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene
  参考文献：
  名称：

  Diethoxyphosphoryl as a Protecting-Activating Group in the Synthesis of Polyazacyclophanes

  摘要：

  The fully diethoxyphosphoryl(Dep)-protected polyamines 1b-3b were prepared from the corresponding polyamines with 'diethyl phosphite' (= diethyl phosphonate) and CCl4 in a solid base/organic liquid two-phase system in the presence of Bu4NBr as phase-transfer catalyst. Subsequent phase-transfer-catalyzed alkylation of phosphoramidates 1b-3b with bis(chloromethyl)arenes 5-8 in the presence of Bu4N(HSO4) followed by deprotection gave good yields of polyazacyclophanes 9a-16a.

  DOI：

  10.1002/(sici)1522-2675(20000412)83:4<793::aid-hlca793>3.0.co;2-3