[Ni2(OAc)2(acetohydroxamate)(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf] | 207446-57-9

• 英文名称: [Ni2(OAc)2(acetohydroxamate)(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf]
• CAS: 207446-57-9
• 化学式: CF₃O₃S*C₁₉H₄₆N₇Ni₂O₇
• 分子量: 751.067
• InChiKey: AXPIATOHVMPPEO-UHFFFAOYSA-K

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：

  乙酰氧肟酸 、 [Ni2(OAc)3(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf] 以 甲醇 为溶剂， 以53%的产率得到[Ni2(OAc)2(acetohydroxamate)(urea)(N,N,N',N'-tetramethylethylenediamine)2][OTf]
  参考文献：
  名称：

  Hydroxamate-Bridged Dinuclear Nickel Complexes as Models for Urease Inhibition

  摘要：

  Facile reaction of the model urease complex [Ni-2(OAc)(3)(urea)(tmen)(2)] [OTf] (A) with acetohydroxamic acid (AHA) gives the monobridged hydroxamate complex (I) [Ni-2(OAc)(2)(AA)(urea)(tmen)(2)] [OTf] with a Ni-Ni distance of 3.434(1) Angstrom compared to that of 3.5 Angstrom in urease (OAc, CH3COO-; tmen, N,N,N',N'-tetramethylethylenediamine; OTf, CF3SO3; AHA, acetohydroxamic acid; AA, acetohydroxamate anion). I is a close model of one proposed mode of urease inhibition by hydroxamic acids, recently observed in the acetohydroxamate-inhibited C319A variant of Klebsiella aerogenes urease. Reaction of [Ni-2(OH2) (OAc)(4)(tmen)(2)] (B) with AHA gives the dibridged hydroxamate complex (II) [Ni-2(OAc)(AA)(2)(tmen)(2)] [OAc] with a Ni-Ni distance of 3.005(1) Angstrom. Infrared spectroscopic studies provide evidence for the bridging acetate groups undergoing carboxylate shifts thereby assisting replacement of acetate by hydroxamate. Both I and II show ferromagnetic exchange coupling.

  DOI：

  10.1021/ic9711628