sodium 2,6-bis[bis(2-hydroxyethyl)aminomethyl]-4-methylphenolate | 449204-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium 2,6-bis[bis(2-hydroxyethyl)aminomethyl]-4-methylphenolate
• 英文别名: Na(bhmp)
• CAS: 449204-54-0
• 化学式: C₁₇H₂₉N₂O₅*Na
• 分子量: 364.417
• InChiKey: WVCMTWJACBPEHN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.35
• 重原子数：
  25.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  110.46
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  sodium 2,6-bis[bis(2-hydroxyethyl)aminomethyl]-4-methylphenolate 、 四苯硼钠 、 cobalt(II) diacetate tetrahydrate 以 甲醇 为溶剂， 以67%的产率得到[Co2(bhmp)(OAc)2]BPh4
  参考文献：
  名称：

  双核钴（II）配合物与具有四个羟乙基螯合臂的新型酚基双核配体的合成，结构和磁性。

  摘要：

  一种具有四个羟乙基臂，2,6-双[双（2-羟乙基）氨基甲基] -4-甲基苯酚[H（bhmp）]的新型末端型无环配体，形成了双核钴（II）配合物[Co（2） （bhmp）（OAc）（2）] BPh（4）（1）和[Co（2）（bhmp）（OBz）（2）] BPh（4）（2）。复杂的1.2.5CH（3）CN（C（50）H（62.5）BCo（2）N（4.5）O（9））在单斜空间群C2 / c中结晶，尺寸为a = 25.424（5）A， b = 13.376（2）A，c = 29.913（6）A，β= 105.930（3）度，V = 9781（3）A（3），Z =8。X射线衍射分析显示，μ-含两个八面体钴（II）离子的苯氧双（mu-acetato）二钴（II）核心结构。研究了在400-1800 nm范围内1和2的电子光谱，这些数据是八面体高自旋钴（II）配合物的典型数据。在4.5-300 K的温度范

  DOI：

  10.1021/ic0255297

文献信息

• Synthesis of water-soluble dinuclear metal complexes [metal=cobalt(II) and nickel(II)] and their behavior in solution
  作者：Akito Kazama、Akinobu Wada、Hiroshi Sakiyama、Md. Jamil Hossain、Yuzo Nishida

  DOI：10.1016/j.ica.2008.02.033

  日期：2008.6

  Two dinuclear metal complexes, [Co-2(bhmp)(MeCO2)(2)]ClO4 center dot 2H(2)O (1) and [Ni-2(bhmp)(MeCO2)(2)] ClO4 center dot 2H(2)O (2), were synthesized with a dinucleating ligand, 2,6-bis[bis(2-hydroxyethyl) aminomethyl]-4-methylphenol [H(bhmp)]. Both complexes were easily soluble in water as well as in DMF. Electronic spectra for both complexes were measured in both solvents and analyzed using the angular overlap model (AOM). From the electronic spectra and molar conductance, both complexes were determined to exist as [M-2(bhmp)(MeCO2)(2)](+) (M = Co II or Ni II) in DMF, dissociating perchlorate ions. On the other hand, in water, it was concluded that the acetate ions were partially dissociated and each complex existed as a mixture of some dissociated species, such as [M-2(bhmp)(MeCO2)(H2O)(2)](2+) and [M-2(bhmp)(H2O)(4)](3+) (M = Co II or Ni II). Such dissociation was also confirmed by precipitation of the dissociated species when NaBPh4 was added into an aqueous solution of the nickel complex. (C) 2008 Elsevier B. V. All rights reserved.