Cu(1,2-bis[(dihydroxymethyl)phosphino]ethane)2(PF6) | 1013116-90-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cu(1,2-bis[(dihydroxymethyl)phosphino]ethane)2(PF6)
• 英文别名: bis(1,2-bis[(dihydroxymethyl)phosphino]ethane)copper(I) hexafluorophosphate；Cu(DHMPE)2(PF6)
• CAS: 1013116-90-9
• 化学式: C₁₂H₃₂CuO₈P₄*F₆P
• 分子量: 636.786
• InChiKey: CWIKVOQQZOLUPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.88
• 重原子数：
  32.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  161.84
• 氢给体数：
  8.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  sodium hexaflorophosphate 、 1,2-Bisethan 、 copper(l) chloride 以 四氢呋喃 为溶剂， 反应 1.5h， 生成 Cu(1,2-bis[(dihydroxymethyl)phosphino]ethane)2(PF6)
  参考文献：
  名称：

  Synthesis of the hydrophilic phosphine complex Cu(DHMPE)2+ from Cu(I) chloride (DHMPE=1,2-bis[(dihydroxymethyl)phosphino]ethane, a water-soluble bidentate phosphine)

  摘要：

  The biomedically useful Cu(DHMPE)(2)(+) complex (DHMPE = 1,2-bis[(dihydroxymethyl)phosphino]ethane, a water-soluble bidentate phosphine) is normally synthesized from expensive Cu(I) sources because the use of cheaper CuCl can lead to a variety of unwanted coordination complex by-products. A method is reported for the synthesis of Cu(DHMPE)(2)(+) from CuCl. Reaction of CuCl with DHMPE in methanol gave [Cu(DHMPE)(2)]Cl, which is soluble in water and moderately soluble in methanol. The complex crystallized as a phosphine-bridged dimer, [Cu-2(DHMPE)(4)]Cl-2, but H-1 NMR DOSY experiments indicated the complex is mononuclear in solution. Reaction of CuCl with DHMPE in THF did not yield Cu(DHMPE)(2)(+), except when a halide abstractor such as NaPF6 was added. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.053