tetraethylcyclohexane-trans-1,2-bis(aminomethylphosphonate)

• 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: tetraethylcyclohexane-trans-1,2-bis(aminomethylphosphonate)
• 英文别名: (1R,2R)-1-N,2-N-bis[[diethoxy(oxido)phosphaniumyl]methyl]cyclohexane-1,2-diamine
• 化学式: C₁₆H₃₆N₂O₆P₂
• 分子量: 414.419
• InChiKey: BCZVYSZNVQGSBZ-HZPDHXFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  26
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  tetraethylcyclohexane-trans-1,2-bis(aminomethylphosphonate) 在 盐酸 、 disodium hydrogenphosphate 作用下， 以 水 、 乙腈 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis of new semi-rigid chelating agents for samarium-153

  摘要：

  This study describes a simple, efficient synthesis pathway from trans-1,2-diaminocyclohexane that provides access to a new class of semi-rigid polyamine, polycarboxylic, and polyphosphonic ligands. The key steps in synthesis were the functionalisation (with an appropriate branching group) of a bisphosphonate diaminocyclohexane derivative and the introduction of methanephosphonic functions by a rarely used method. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(03)00635-x
• 作为产物：
  描述：

  [(3aS,7aS)-3-(Diethoxy-phosphorylmethyl)-octahydro-benzoimidazol-1-ylmethyl]-phosphonic acid diethyl ester 在 盐酸 作用下， 以 甲醇 为溶剂， 以62%的产率得到tetraethylcyclohexane-trans-1,2-bis(aminomethylphosphonate)
  参考文献：
  名称：

  Synthesis of new semi-rigid chelating agents for samarium-153

  摘要：

  This study describes a simple, efficient synthesis pathway from trans-1,2-diaminocyclohexane that provides access to a new class of semi-rigid polyamine, polycarboxylic, and polyphosphonic ligands. The key steps in synthesis were the functionalisation (with an appropriate branching group) of a bisphosphonate diaminocyclohexane derivative and the introduction of methanephosphonic functions by a rarely used method. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(03)00635-x

文献信息

• Bailly, Theodorine; Burgada, Ramon, Phosphorus, Sulfur and Silicon and the Related Elements, 1995, vol. 101, # 1-4, p. 131 - 140
  作者：Bailly, Theodorine、Burgada, Ramon

  DOI：——

  日期：——
• Synthesis of new semi-rigid chelating agents for samarium-153
  作者：Anthony Loussouarn、Ali Ouadi、Laurence Morandeau、Patricia Remaud、Robin Giles、Jean-Francois Gestin、John Webb

  DOI：10.1016/s0040-4039(03)00635-x

  日期：2003.4

  This study describes a simple, efficient synthesis pathway from trans-1,2-diaminocyclohexane that provides access to a new class of semi-rigid polyamine, polycarboxylic, and polyphosphonic ligands. The key steps in synthesis were the functionalisation (with an appropriate branching group) of a bisphosphonate diaminocyclohexane derivative and the introduction of methanephosphonic functions by a rarely used method. (C) 2003 Published by Elsevier Science Ltd.