[Co(2-hydroxy-5-methyl-acetophenone-H)(2,9-dimethyl-1,10-phenanthroline)Br] | 1429189-81-0

• 英文名称: [Co(2-hydroxy-5-methyl-acetophenone-H)(2,9-dimethyl-1,10-phenanthroline)Br]
• 英文别名: [Co(2-hydroxy-5-methyl-acetophenone-H)(neocuproine)Br]；[Co(mpo)(neoc)Br]
• CAS: 1429189-81-0
• 化学式: C₂₃H₂₁BrCoN₂O₂
• 分子量: 496.329
• InChiKey: FYFVOAFCCSHQPG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Co(2-hydroxy-5-methyl-acetophenone-H)(2,9-dimethyl-1,10-phenanthroline)Br] 以 neat (no solvent, solid phase) 为溶剂， 生成 钴
  参考文献：
  名称：

  Different geometries of novel cobalt(II) compounds with 2-hydroxy-benzophenones and neocuproine: Crystal and molecular structures of [Co(2-hydroxy-benzophenone)2(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br2]·CH3OH·H2O

  摘要：

  Ten mixed-ligand Co(II) compounds with 2-hydroxy-benzophenones(ketones) and neocuproine(neoc) were synthesized and characterized by physicochemical and spectral (IR, UV-Vis) data. The cyclic voltammetry study in CH3CN gave all the expected waves for the redox processes of the metal Co(II) and the studied ligands. The X-ray diffraction study of two representative compounds proved the two different geometries, octahedral for [Co(2-hydroxy-benzophenone)(2)(neoc)] (3) and trigonal bipyramidal for [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] (10). Additionally, the precursor compound [Co(neoc)Br-2]center dot CH3OH center dot H2O (11) was proved by (X-ray) to posses tetrahedral geometry. The molecular structure and the possible isomers of the trigonal bipyramidal complex 10 were studied by means of density functional calculations (DFT). The thermal stability was investigated by means of simultaneous TG/DTG-DTA technique in nitrogen atmosphere up to 1000 degrees C, where metallic cobalt was found as the solid residue. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.012
• 作为产物：
  描述：

  2-羟基-5-甲基苯乙酮 、 [cobalt(II)dibromide(2,9-dimethyl-1,10-phenanthroline)] 在 sodium methylate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以65%的产率得到[Co(2-hydroxy-5-methyl-acetophenone-H)(2,9-dimethyl-1,10-phenanthroline)Br]
  参考文献：
  名称：

  Different geometries of novel cobalt(II) compounds with 2-hydroxy-benzophenones and neocuproine: Crystal and molecular structures of [Co(2-hydroxy-benzophenone)2(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br2]·CH3OH·H2O

  摘要：

  Ten mixed-ligand Co(II) compounds with 2-hydroxy-benzophenones(ketones) and neocuproine(neoc) were synthesized and characterized by physicochemical and spectral (IR, UV-Vis) data. The cyclic voltammetry study in CH3CN gave all the expected waves for the redox processes of the metal Co(II) and the studied ligands. The X-ray diffraction study of two representative compounds proved the two different geometries, octahedral for [Co(2-hydroxy-benzophenone)(2)(neoc)] (3) and trigonal bipyramidal for [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] (10). Additionally, the precursor compound [Co(neoc)Br-2]center dot CH3OH center dot H2O (11) was proved by (X-ray) to posses tetrahedral geometry. The molecular structure and the possible isomers of the trigonal bipyramidal complex 10 were studied by means of density functional calculations (DFT). The thermal stability was investigated by means of simultaneous TG/DTG-DTA technique in nitrogen atmosphere up to 1000 degrees C, where metallic cobalt was found as the solid residue. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.06.012