| 1428102-00-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• CAS: 1428102-00-4
• 化学式: C₉H₉O₄P*C₁₂H₈N₂*H₂O*Mn
• 分子量: 465.304
• InChiKey: NELYZEIPXZWAPU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 3-羟基苯基磷酰丙酸 、 水 、 manganese (II) acetate tetrahydrate 在 尿素 作用下， 反应 72.0h， 以70%的产率得到
  参考文献：
  名称：

  Isomerism of a series of octahedrally coordinated transition metal carboxylate–phosphinates with 1,10-phenanthroline as a coligand: Discrete dimers or double-chains constructed by various dimeric ring motifs

  摘要：

  Six octahedrally coordinated transition metal carboxylatephosphinates with 1,10-phenanthroline (phen) as a coligand, namely [Mn(L)(phen)(H2O)]center dot 2(H2O) (1), [Mn(L)(phen)(H2O)] (2), [Cu(L)(phen)(H2O)]center dot 3(H2O) (3), [Cd(L)(phen)] (4), [Cd(L)(phen)]center dot 3(H2O) (5) and [Cd(L)(phen)]center dot 13/6(H2O) (6) (L2- = (2-carboxyethyl)(phenyl)phosphinate) are presented here, of which 1 and 3 show discrete dimer structures while 2, 4, 5 and 6 feature different double-chain arrays. Compounds 1 and 2, as well as 4, 5 and 6, can be regarded as isomers, and 3 bears a strong structural analogy to 1, although the metal species in them are different. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.11.051