6-(hydroxymethyl)-N'-((8-hydroxyquinolin-2-yl)methylene) picolinohydrazide | 1434045-39-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(hydroxymethyl)-N'-((8-hydroxyquinolin-2-yl)methylene) picolinohydrazide
• CAS: 1434045-39-2
• 化学式: C₁₇H₁₄N₄O₃
• 分子量: 322.323
• InChiKey: QJOVDMCQVYBEOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  107.7
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 holmium(III) chloride hexahydrate 、 6-(hydroxymethyl)-N'-((8-hydroxyquinolin-2-yl)methylene) picolinohydrazide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 360.0h， 以51%的产率得到[{(6-(hydroxymethyl)-N'-((8-hydroxyquinolin-2-yl)methylene) picolinohydrazide(2-))₂Ho₄}(μ₂-O)₄](H₂O)₈*6MeOH*4H₂O
  参考文献：
  名称：

  Rhombus-Shaped Tetranuclear [Ln₄] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior

  摘要：

  The reaction of a new hexadentate Schiff base hydrazide ligand (LH3) with rare earth(III) chloride salts in the presence of triethylamine as the base afforded two planar tetranuclear neutral complexes: [{(LH)(2)Dy-4}(mu(2)-O)(4)](H2O)(8)center dot 2CH(3)OH center dot 8H(2)O (1) and [{(LH)(2)Ho-4} (mu(2)-O)(4)](H2O)(8)center dot 6CH(3)OH center dot 4H(2)O (2). These neutral complexes possess a structure in which all of the lanthanide ions and the donor atoms of the ligand remain in a perfect plane. Each doubly deprotonated ligand holds two Ln(III) ions in its two distinct chelating coordination pockets to form [LH(Ln)(2)](4+) units. Two such units are connected by four [mu(2)-O](2-) ligands to form a planar tetranuclear assembly with an Ln(III)(4) core that possesses a rhombus shaped structure. Detailed static and dynamic magnetic analysis of 1 and 2 revealed single molecule magnet (SMM) behavior for complex 1. A peculiar feature of the chi(M)'' versus temperature curve is that two peaks that are frequency dependent are revealed, indicating the occurrence of two relaxation processes that lead to two energy barriers (16.8 and 54.2 K) and time constants (tau(0) = 1.4 x 10(-6) S, tau(0) = 7.2 X 10(-7) S). This was related to the presence of two distinct geometrical sites for Dy(III) in complex 1.

  DOI：

  10.1021/ic302848k
• 作为产物：
  描述：

  8-羟基喹哪啶 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 27.0h， 生成 6-(hydroxymethyl)-N'-((8-hydroxyquinolin-2-yl)methylene) picolinohydrazide
  参考文献：
  名称：

  Rhombus-Shaped Tetranuclear [Ln₄] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior

  摘要：

  The reaction of a new hexadentate Schiff base hydrazide ligand (LH3) with rare earth(III) chloride salts in the presence of triethylamine as the base afforded two planar tetranuclear neutral complexes: [{(LH)(2)Dy-4}(mu(2)-O)(4)](H2O)(8)center dot 2CH(3)OH center dot 8H(2)O (1) and [{(LH)(2)Ho-4} (mu(2)-O)(4)](H2O)(8)center dot 6CH(3)OH center dot 4H(2)O (2). These neutral complexes possess a structure in which all of the lanthanide ions and the donor atoms of the ligand remain in a perfect plane. Each doubly deprotonated ligand holds two Ln(III) ions in its two distinct chelating coordination pockets to form [LH(Ln)(2)](4+) units. Two such units are connected by four [mu(2)-O](2-) ligands to form a planar tetranuclear assembly with an Ln(III)(4) core that possesses a rhombus shaped structure. Detailed static and dynamic magnetic analysis of 1 and 2 revealed single molecule magnet (SMM) behavior for complex 1. A peculiar feature of the chi(M)'' versus temperature curve is that two peaks that are frequency dependent are revealed, indicating the occurrence of two relaxation processes that lead to two energy barriers (16.8 and 54.2 K) and time constants (tau(0) = 1.4 x 10(-6) S, tau(0) = 7.2 X 10(-7) S). This was related to the presence of two distinct geometrical sites for Dy(III) in complex 1.

  DOI：

  10.1021/ic302848k