[Mn(hexahydro-5-methyl-5-(pyridin-2-yl)-1,3-bis(2-(pyridin-2-yl)ethyl)pyrimidine)Br2] | 1318797-37-3

• 英文名称: [Mn(hexahydro-5-methyl-5-(pyridin-2-yl)-1,3-bis(2-(pyridin-2-yl)ethyl)pyrimidine)Br2]
• CAS: 1318797-37-3
• 化学式: C₂₄H₂₉Br₂MnN₅
• 分子量: 602.274
• InChiKey: HBKPGJDJEWKMFW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  manganese(II) bromide tetrahydrate 、 hexahydro-5-methyl-5-(pyridin-2-yl)-1,3-bis(2-(pyridin-2-yl)ethyl)pyrimidine 以 甲醇 为溶剂， 以53%的产率得到[Mn(hexahydro-5-methyl-5-(pyridin-2-yl)-1,3-bis(2-(pyridin-2-yl)ethyl)pyrimidine)Br2]
  参考文献：
  名称：

  First-row transition metal complexes of a novel pentadentate amine/imine ligand containing a hexahydropyrimidine core

  摘要：

  2-Methyl-2-(pyridin-2-yl) propane-1,3-diamine and formaldehyde are condensed to prepare the hexahydropyrimidine derivative, which is subsequently reacted with two equivalents of 2-vinylpyridine, to produce a novel, potentially pentadentate amine/imine ligand. Full NMR spectroscopic details are reported. The ligand, hexahydro-5-methyl-5-(pyridin-2-yl)-1,3-bis[2-(pyridin-2-yl) ethyl] pyrimidine, acts as a pentadentate in a series of first-row transition metal complexes (M = Ni(2+), Fe(2+), Zn(2+), Cu(2+)) but is tridentate towards Mn(2+), in the corresponding dibromido complex. Single-crystal X-ray structure analyses reveal the metal ions to be hexacoordinate in the case of M = Ni(2+), Fe(2+), with and additional aqua or halido (Br(-), Cl(-)) ligand, or pentacoordinate (M = Zn(2+), Cu(2+), Mn(2+)). Ferric complexes were not obtained, neither from complexation experiments employing iron(III), nor from oxidations using the iron(II) complex, and hydrogen peroxide or iodosylbenzene. In the case of the latter reactions, mass spectrometric data indicate oxidation of the hexahydropyrimidine core, with concomitant decomplexation of the ligand. (C) 2011 Published by Elsevier B. V.

  DOI：

  10.1016/j.ica.2011.02.066