[(tris(3,5-dimethylpyrazol-1-yl)methane)*NiII(OH2)(3-ClC6H4CO2)2] | 1422276-33-2

• 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: [(tris(3,5-dimethylpyrazol-1-yl)methane)*NiII(OH2)(3-ClC6H4CO2)2]
• 英文别名: [(tris(3,5-dimethylpyrazol-1-yl)methane)*Ni^II(OH₂)(3-ClC₆H₄CO₂)₂]；[Tpm*Ni^II(OH₂)(3-ClC₆H₄CO₂)₂]
• CAS: 1422276-33-2
• 化学式: C₃₀H₃₂Cl₂N₆NiO₅
• 分子量: 686.217
• InChiKey: XCFJJBNDBQTGMJ-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：
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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：

  三(3,5-二甲基-1-吡唑基)甲烷 、 3-氯苯甲酸 、 bis(1,5-cyclooctadiene)nickel (0) 在 间氯过氧苯甲酸 作用下， 以 四氢呋喃 为溶剂， 以43%的产率得到[(tris(3,5-dimethylpyrazol-1-yl)methane)*NiII(OH2)(3-ClC6H4CO2)2]
  参考文献：
  名称：

  Oxidative assembly of octahedral nickel(II)-tris(3,5-dimethylpyrazol-1-yl)methane (Tpm∗) complexes by reaction of Ni(COD)2 (COD=1,5-cyclooctadiene) with putative oxene and nitrene precursors

  摘要：

  Reactions of [Ni-0(COD)(2)] (COD = 1,5-cyclooctadiene) with meta-chloroperoxybenzoic acid, phenyl-N-tosylimidoiodinane or 2-(tert-butylsulfonyl)iodosylbenzene were performed in THF solution in the presence of one equivalent of tris(3,5-dimethylpyrazol-1-yl)methane (Tpm*), yielding the product complexes [Tpm*Ni-II(OH2)(3-ClC6H4CO2)(2)] (2), [(Tpm*)(2)Ni-II][Ni-II(NHTs)(4)] (3), and [Tpm*Ni-II(OH)(2)(OH2)] (4), respectively. Products 2-4 arise from oxidation of solvated [Ni-0(COD)(2)], with subsequent ligation of Tpm* and substrate fragments leading to assembly of disparate octahedral nickel(II) centers. For comparative purposes, the previously reported complex [(Tpm*)Ni-II(OH2)Cl-2] (1) was also obtained from Tpm* and NiCl2. All complexes were characterized spectroscopically, and complexes 1-3 were also structurally characterized by X-ray crystallography. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.034