2,4,6-tris(pyridine-2-ylmethyliminomethyl)-phloroglucinol | 1318564-07-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4,6-tris(pyridine-2-ylmethyliminomethyl)-phloroglucinol
• 英文别名: 2,4,6-Tris(pyridin-2-ylmethyliminomethyl)benzene-1,3,5-triol
• CAS: 1318564-07-6
• 化学式: C₂₇H₂₄N₆O₃
• 分子量: 480.526
• InChiKey: SBVHPUMJHRBZKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 bis[2-(2-pyridyl)ethyl]amine 、 2,4,6-tris(pyridine-2-ylmethyliminomethyl)-phloroglucinol 在 aq. ammonia 作用下， 以 甲醇 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  Phloroglucinol-bridged trinuclear complexes with three paramagnetic octahedral nickel(II) ions: Syntheses, crystal structures, and magnetic properties

  摘要：

  Three new C-3-symmetric tritopic ligands with a central phloroglucinol bridging unit have been synthesized and characterized. The ligands are accessible through Schiff-base condensation of 2,4,6-triformylphloroglucinol with 2-aminomethylpyridine (H(3)tfpg-ampy), N,N-bis(pyridin-2-ylmethyl)-ethylenediamine (H(3)tfpg-unspenp), and benzhydrazide (H(6)tfpg-bhy). These ligands differ in nature and number of the donor atoms within the resulting binding pockets. Based on these ligands the synthesis of the first trinuclear phloroglucinol-bridged nickel(II) complexes with three octahedrally coordinated nickel centers is reported. The ligands H(3)tfpg-ampy and H(6)tfpg-bhy, which provide tridentate binding pockets, react with nickel(II) perchlorate in the presence of bis(pyridin-2-ylethyl)-amine (bpea) as an additional tridentate capping ligand leading to the formation of the trinuclear complexes [Ni-3(tfpg-ampy)(bpea)(3)](ClO4)(3) and [Ni-3(tfpg-bhy)(b-pea)(3)](ClO4)(3), respectively. Due to the pentadentate binding pocket in ligand H(3)tfpg-unspenp, no additional coligand is needed and a water molecule occupies the sixth coordination site at the nickel(II) ion resulting in the complex [Ni-3(tfpg-unspenp)(H2O)(3)](ClO4)(3). Temperature-dependent magnetic measurements reveal overall weak antiferromagnetic exchange interactions within the trinuclear complex together with a rather strong zero-field splitting (ZFS) for the nickel(II) ions. The observed isotropic coupling constants for the three complexes are in the range of 0.14 < - J < 0.37 cm (1), whereas for the zero-field splitting parameter vertical bar D vertical bar values between 1.8 and 5.5 cm (1) are found. This is indicative for competitive spin-polarization and superexchange mechanisms, with the latter prevailing the interaction between the nickel(II) ions through the meta-phenylene-linkage for the complexes reported. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.03.018