P,P'-bis(1-methylimidazol-2-yl)ethylenediphosphinic acid | 1283703-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: P,P'-bis(1-methylimidazol-2-yl)ethylenediphosphinic acid
• CAS: 1283703-80-9
• 化学式: C₁₀H₁₆N₄O₄P₂
• 分子量: 318.209
• InChiKey: QHYPFRHXVLQPNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.35
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  110.24
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,2-bis(di-1-methylimidazol-2-ylphosphino)ethane 在 水 、 双氧水 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以38 mg的产率得到P,P'-bis(1-methylimidazol-2-yl)ethylenediphosphinic acid
  参考文献：
  名称：

  Synthesis, X-ray crystal structure and cytotoxicity of a new tetranuclear ruthenium arene complex

  摘要：

  The tetranuclear ruthenium arene compound [(cym)(4)Ru-4(2)Cl-6]Cl-2 (3) (cym = eta(6)-p-cymene, 2 = 1,2-bis (di-N-methylimidazol-2-ylphosphino)ethane) was prepared and characterised by one- and two-dimensional NMR techniques. Its cytotoxicity against four different cell lines was determined and, with an approximate IC50 of > 100 mu M 3 can be regarded as non-toxic. Its partition coefficient in n-octanol/water (log D-7.4) was also determined. The structures of complex 3 as well as of the related compound [(cym)(2)Ru-2(4)Cl-2]Cl-2 (5) (4 = 1,2-bis(di-N-methylimidazol-2-ylphosphino)ethane dioxide) were determined by single crystal structure analysis. Upon oxidation in protic solvents, ligand 2 shows P-C bond cleavage reactions to yield P,P'-bis(N-methylimidazol-2-yl)ethylene diphosphinic acid (6). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.10.042