N-[4,4-bis(diethoxyphosphoryl)butyl]-N',N'-bis[2-[4,4-bis(diethoxyphosphoryl)butylamino]ethyl]ethane-1,2-diamine | 926026-62-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: N-[4,4-bis(diethoxyphosphoryl)butyl]-N',N'-bis[2-[4,4-bis(diethoxyphosphoryl)butylamino]ethyl]ethane-1,2-diamine
• CAS: 926026-62-2
• 化学式: C₄₂H₉₆N₄O₁₈P₆
• 分子量: 1131.08
• InChiKey: DPBBLCMOGVWCAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  70
• 可旋转键数：
  51
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  253
• 氢给体数：
  3
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  N-[4,4-bis(diethoxyphosphoryl)butyl]-N',N'-bis[2-[4,4-bis(diethoxyphosphoryl)butylamino]ethyl]ethane-1,2-diamine 在 三甲基溴硅烷 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 74.0h， 以79%的产率得到[4-[2-[Bis[2-(4,4-diphosphonobutylamino)ethyl]amino]ethylamino]-1-phosphonobutyl]phosphonic acid
  参考文献：
  名称：

  Synthesis of novel phosphonated tripodal ligands for actinides chelation therapy

  摘要：

  Efficient synthetic routes for preparation of a new family of aldehyde-bisphosphonate conjugates were presented. These compounds appeared as promising intermediates for incorporation of bisphosphonate moiety in various substrates under mild conditions. We report here a first application to the synthesis of a series of three phosphonated tripods designed for actinides chelation therapy. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.094
• 作为产物：
  描述：

  2-[3,3-Bis[diethoxy(oxido)phosphaniumyl]propyl]-1,3-dioxolane 在 溶剂黄146 作用下， 以 水 、 甲苯 为溶剂， 反应 54.0h， 生成 N-[4,4-bis(diethoxyphosphoryl)butyl]-N',N'-bis[2-[4,4-bis(diethoxyphosphoryl)butylamino]ethyl]ethane-1,2-diamine
  参考文献：
  名称：

  Synthesis of novel phosphonated tripodal ligands for actinides chelation therapy

  摘要：

  Efficient synthetic routes for preparation of a new family of aldehyde-bisphosphonate conjugates were presented. These compounds appeared as promising intermediates for incorporation of bisphosphonate moiety in various substrates under mild conditions. We report here a first application to the synthesis of a series of three phosphonated tripods designed for actinides chelation therapy. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.094

文献信息

• Synthesis of novel phosphonated tripodal ligands for actinides chelation therapy
  作者：Vincent Chaleix、Marc Lecouvey

  DOI：10.1016/j.tetlet.2006.11.094

  日期：2007.1

  Efficient synthetic routes for preparation of a new family of aldehyde-bisphosphonate conjugates were presented. These compounds appeared as promising intermediates for incorporation of bisphosphonate moiety in various substrates under mild conditions. We report here a first application to the synthesis of a series of three phosphonated tripods designed for actinides chelation therapy. (c) 2006 Elsevier Ltd. All rights reserved.