diaquabis(3-tert-butyl-4-cyanopyrazole)bis(trifluoromethanesulfonato)manganese(II) | 947596-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: diaquabis(3-tert-butyl-4-cyanopyrazole)bis(trifluoromethanesulfonato)manganese(II)
• 英文别名: Mn(Hpz(t-Bu,4CN))2(H2O)2(CF3SO3)2
• CAS: 947596-36-3
• 化学式: C₁₈H₂₆F₆MnN₆O₈S₂
• 分子量: 687.5
• InChiKey: AQOWIXDZWBWLGP-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：

  [Mn(OTf)₂(CH₃CN)₂] 、 3-tert-butyl-4-cyanopyrazole 、 水 以 四氢呋喃 为溶剂， 以72.1%的产率得到diaquabis(3-tert-butyl-4-cyanopyrazole)bis(trifluoromethanesulfonato)manganese(II)
  参考文献：
  名称：

  Syntheses and crystal structures of 3-tert-butyl-4-cyano pyrazole and its complexes with cobalt(II), manganese(II), and copper(II)

  摘要：

  A new pyrazole ligand, 3-tert-butyl-4-cyano pyrazole (Hpz(t-Bu,4CN)), has been synthesized. The crystal structure of this pyrazole, along with the syntheses and crystal structures of Co, Cu, and Mn complexes of this ligand, are reported. The uncoordinated pyrazole shows the formation of a cyclic hydrogen-bound dimer. The Co complex is octahedral, with four coordinated pyrazoles and two coordinated waters. The Mn complex is octahedral, with two coordinated pyrazoles, two coordinated triflates and two coordinated waters. A hydrogen bonding network involving the triflates and waters results in a linear double chain of Mn complexes. The Cu complex has two coordinated pyrazoles and two coordinated chlorides in a slightly distorted square-planar geometry, with a long bond to the cyano N atom of a neighboring Cu complex, forming a pseudodimer. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.12.035