5-chloro-1,3-diformyl-2-hydroxybenzene bis(benzoylhydrazone) | 171566-59-9

• 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: 5-chloro-1,3-diformyl-2-hydroxybenzene bis(benzoylhydrazone)
• 英文别名: bisbenzoylhydrazone of 2,6-diformyl-4-Cl-phenol
• CAS: 171566-59-9
• 化学式: C₂₂H₁₇ClN₄O₃
• 分子量: 420.855
• InChiKey: SPMSGUFFJUFMDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.57
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103.15
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 5-chloro-1,3-diformyl-2-hydroxybenzene bis(benzoylhydrazone) 、 copper(II) nitrate 以 甲醇 为溶剂， 生成 [(bisbenzoylhydrazone of 2,6-diformyl-4-Cl-phenolate)(CH3O)(NO3)(Cu(II))2]NO3 complex
  参考文献：
  名称：

  摘要：

  A series of binuclear Cu(II) complexes with bisbenzoylhydrazones of 2,6-diformyl-4-R-phenols (R = OCH3, CH3, CH2Ph, Cl, Br, CO2CH3) with H2LCu2(NO3)(2)(OCH3) composition, where H2L- are monodeprotonated bishydrazones, was synthesized. The structure of the obtained complexes was established using IR spectroscopy and conductometric and magnetochemical data. The title complexes were shown to exhibit exchange interaction of the antiferromagnetic type. Results of quantum-chemical calculations of structures modeling the state of a ligand in the complex were used to discuss the effect of substituent R nature on magnetic exchange in the complexes.

  DOI：

  10.1023/a:1009587502176
• 作为产物：
  描述：

  2,6-二甲酰基-4-氯苯酚 、 苯甲酰肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以96%的产率得到5-chloro-1,3-diformyl-2-hydroxybenzene bis(benzoylhydrazone)
  参考文献：
  名称：

  Dinuclear lanthanide(III) complexes with large-bite Schiff bases derived from 2,6-diformyl-4-chlorophenol and hydrazides: Synthesis, structural characterization and spectroscopic studies

  摘要：

  Two Schiff bases (H3L1 and H5L2), derived from 2,6-diformyl-4-chlorophenol and hydrazides, and their complexes with some lanthanides (V, La, Nd, Sm, Dy and Er) have been synthesized. These compounds have been characterized by means of elemental analysis, UV-Vis spectroscopy, IR spectroscopy, H-1 and C-13 NMR (for the organic ligands), molar conductance and room temperature magnetic measurements. Single crystal X-ray analysis of the two complexes [La-2(H2L1)(3)(C2H5OH)(2)]center dot(Cl)center dot(NO3)(2)((CH3)(2)CO)(2)center dot(H2O)(2) (1) and [Er-2(H4L2)(3)]center dot(SCN)(3)center dot(H2O) (8) has revealed the nature of the structures; the lanthanide(III) ions are intramolecularly bridged by three phenolic oxygen atoms, forming a dinuclear complex. The lanthanum atom is ten-coordinated, while the erbium atom is nine-coordinated. The coordination polyhedron of the erbium complex is best described as a tricapped trigonal prism. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.025