bis[2-[6-benzoyl-4-methylphenol]benzimidoyl]-1,4-butane | 1032650-78-4

• 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: bis[2-[6-benzoyl-4-methylphenol]benzimidoyl]-1,4-butane
• 英文别名: bmpbbH2；[3-[N-[4-[[(3-benzoyl-2-hydroxy-5-methylphenyl)-phenylmethylidene]amino]butyl]-C-phenylcarbonimidoyl]-2-hydroxy-5-methylphenyl]-phenylmethanone
• CAS: 1032650-78-4
• 化学式: C₄₆H₄₀N₂O₄
• 分子量: 684.835
• InChiKey: VHKIAFGCNMZBSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  52
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  99.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cobalt(II) chloride hexahydrate 、 bis[2-[6-benzoyl-4-methylphenol]benzimidoyl]-1,4-butane 、 2,6-dibenzoyl-4-methylphenol 以 not given 为溶剂， 生成 Co(III)[(6-PhCO)(4-Me)OC6H2-2-[CPhN(CH2)4NCPh]-2-C6H2O(4-Me)(6-COPh)](4-methyl-2,6-dibenzoylphenolate)
  参考文献：
  名称：

  The effect of diamine chain length on the formation of CoIII Schiff base complexes: The unexpected formation of a neutral complex containing a tetradentate ligand

  摘要：

  The mononuclear neutral Co-III complex [Co(mdbp)L] (3), [mdbpH = 4-methyl-2,6-dibenzoylphenol, LH2=[(6-PhCO)(4-Me)(OH)C6H2-2-{CPh=N(CH2)(4)N=CPh}-2-C6H2(OH)(4-Me)(6-COPh)], has been synthesized from Co-II chloride, butane-1,4-diamine and mdbpH, and its structure established by X-ray crystallography. The Schiff base LH2 and compound 3 have been characterized by elemental analysis, conductivity measurement, mass spectrometry, IR, electronic, H-1 and C-13 NMR spectroscopy, thermal analysis (TGA) and cyclic voltammetry. The ligand L is tetradentate, and coordinates via phenolato oxygen and imine nitrogen. The octahedral coordination sphere is completed by the phenolato and one benzoyl oxygen of a 4-methyl-2,6-dibenzoylato ligand. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.10.037