Thiophosphoric acid O-[5-(bis-{5-[bis-(4-hydroxy-butoxy)-thiophosphoryloxy]-pentyloxy}-selenophosphoryloxy)-pentyl] ester O',O''-bis-(4-hydroxy-butyl) ester | 436849-72-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Thiophosphoric acid O-[5-(bis-{5-[bis-(4-hydroxy-butoxy)-thiophosphoryloxy]-pentyloxy}-selenophosphoryloxy)-pentyl] ester O',O''-bis-(4-hydroxy-butyl) ester
• 英文别名: Tris[5-[bis(4-hydroxybutoxy)-sulfidophosphaniumyl]oxypentoxy]-selenidophosphanium；tris[5-[bis(4-hydroxybutoxy)-sulfidophosphaniumyl]oxypentoxy]-selenidophosphanium
• CAS: 436849-72-8
• 化学式: C₃₉H₈₄O₁₈P₄S₃Se
• 分子量: 1140.14
• InChiKey: KTUDNCIZNNBWOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.85
• 重原子数：
  65
• 可旋转键数：
  54
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  235
• 氢给体数：
  6
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  di(5-acetoxypentyloxy)-N,N-diethylaminophosphine 、 Thiophosphoric acid O-[5-(bis-{5-[bis-(4-hydroxy-butoxy)-thiophosphoryloxy]-pentyloxy}-selenophosphoryloxy)-pentyl] ester O',O''-bis-(4-hydroxy-butyl) ester 在 2,2,2-三氟乙酸,2,4,6-三甲基吡啶 、 三甲基丁基过氧硅烷 作用下， 以 二氯甲烷 为溶剂， 以86%的产率得到Tris[5-[bis[4-[bis(5-acetyloxypentoxy)-oxidophosphaniumyl]oxybutoxy]-sulfidophosphaniumyl]oxypentoxy]-selenidophosphanium
  参考文献：
  名称：

  Dendrimers bearing three types of branching functions

  摘要：

  Selective t-butylperoxy-trimethylsilane oxidation of phosphites, having labile seleno- and thiophosphate groups, to corresponding phosphates has been accomplished. This key reaction has been successfully applied to the synthesis of dendrimers possessing three different (P=Se, P=O and P=S) branching units within the same molecule. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00088-6
• 作为产物：
  描述：

  bis(4-acetoxybutoxy)-N,N-diethylaminophosphine 在 potassium carbonate 、 2,2,2-三氟乙酸,2,4,6-三甲基吡啶 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 13.0h， 生成 Thiophosphoric acid O-[5-(bis-{5-[bis-(4-hydroxy-butoxy)-thiophosphoryloxy]-pentyloxy}-selenophosphoryloxy)-pentyl] ester O',O''-bis-(4-hydroxy-butyl) ester
  参考文献：
  名称：

  Dendrimers bearing three types of branching functions

  摘要：

  Selective t-butylperoxy-trimethylsilane oxidation of phosphites, having labile seleno- and thiophosphate groups, to corresponding phosphates has been accomplished. This key reaction has been successfully applied to the synthesis of dendrimers possessing three different (P=Se, P=O and P=S) branching units within the same molecule. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00088-6