[Ni2(OH2)(OAc)4(N,N,N',N'-tetramethylethylenediamine)2] | 65652-94-0

• 英文名称: [Ni2(OH2)(OAc)4(N,N,N',N'-tetramethylethylenediamine)2]
• 英文别名: [bis(μ-acetato)(μ-aqua)bis(acetato)bis(N,N,N',N'-tetramethylethylenediamine)dinickel(II)]；(μ-aqua)bis(μ-acetate)bis(acetate)bis(N,N,N',N'-tetramethylethylenediamine)dinickel；[Ni2(OAc)4(H2O)(N,N,N',N'-tetramethylethylenediamine)2]；[Ni2(OAc)4(H2O)(tmen)2]
• CAS: 65652-94-0
• 化学式: C₂₀H₄₆N₄Ni₂O₉
• 分子量: 603.987
• InChiKey: XCFGWHWUGKUOCP-UHFFFAOYSA-J

计算性质

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

反应信息

• 作为反应物：
  描述：

  [Ni2(OH2)(OAc)4(N,N,N',N'-tetramethylethylenediamine)2] 以 甲醇 、 二氯甲烷 为溶剂， 生成 [(μ-acetato)bis(μ-benzohydroxamate)bis(N,N,N',N'-tetramethylethylenediamine)dinickel(II)] trifluoromethanesulfonate monohydrate
  参考文献：
  名称：

  Mononuclear and dinuclear model hydrolases of nickel and cobalt

  摘要：

  Reaction between the dinuclear model hydrolases [M-2(mu-OAc)(2)(OAc)(2)(mu-H2O)(tmen)(2)]; M = Ni (1); M = Co (2) and trimethylsilyltrifluoromethanesulphonate (TMS-OTf) under identical reaction conditions gives the mononuclear complex [Ni(OAc) (H2O)(2)(tmen)][OTf]center dot H2O (3) in the case of nickel and the dinuclear complex [CO2(mu-OAC)(2)(mu-H2O)(2)(tmen)(2)][OTf](2) (4) in the case of cobalt.Reaction of (3) with urea gives the previously reported [Ni(OAc)(urea)(2)(tmen)][OTf] (5), whereas (4) gives [CO2(OAC)(3)(urea) (tmen)(2)][OTf] (6) previously obtained by direct reaction of (2) with urea. Both (3) and (4) react with monohydroxamic acids (RHA) to give the dihydroxamate bridged dinuclear complexes [M-2(mu-OAc)(mu-RA)(2)(tmen)(2)][OTf]; M = Ni (7); M = Co (8) previously obtained by the reaction of (1) and (2) with RHA, illustrating the greater ability of hydroxamic acids to stabilize dinuclear complexes over that of urea by means of their bridging mode, and offering a possible explanation for the inhibiting effect of hydroxamic acids by means of their displacing bridging urea in a possible intermediate invoked in the action of urease. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.01.029
• 作为产物：
  描述：

  四甲基乙二胺 、 nickel diacetate 在 H₂O 作用下， 以 乙醇 、 水 为溶剂， 生成 [Ni2(OH2)(OAc)4(N,N,N',N'-tetramethylethylenediamine)2]
  参考文献：
  名称：

  The dinuclear unit μ-aqua-bis(μ-carboxylato)dimetal. X-ray structure and magnetism of cobalt and nickel(II) compounds containing bridging carboxylato groups and a bridging water molecule

  摘要：

  DOI：

  10.1016/s0277-5387(00)80847-5

文献信息

• Structural variations in dinuclear model hydrolases and hydroxamate inhibitor models: synthetic, spectroscopic and structural studies
  作者：D.A. Brown、W.K. Glass、N.J. Fitzpatrick、T.J. Kemp、W. Errington、G.J. Clarkson、W. Haase、F. Karsten、A.H. Mahdy

  DOI：10.1016/j.ica.2003.08.021

  日期：2004.3

  Reactions of the structural model hydrolases [M2(OAc)4(H2O)(Im)4]; M=Mn (E′); M=Co (D′); M=Ni (B′) and [M2(OPiv)4(H2O)(tmen)2]; M=Mn (E″); M=Co (D″); M=Ni (B″) with a number of hydroxamic acids, RHA (aceto- (R=CH3), benzo- (R = C6H5) and N-phenylacetohydroxamic acid (NPhAHA)) gave a series of hydroxamate dibridged complexes [M2(OAc)(RA)2(Im)4][OTf] and [M2(OPiv)(RA)2(tmen)2][OTf]; M=Co, Ni, in which the bridging

  结构模型水解酶[M2（OAc）4（H2O）（Im）4]的反应；M = Mn（E'）; M = Co（D'）; M ＝ Ni（B′）和[M2（OPiv）4（ ）（tmen）2]；M ＝ Mn（E″）；M ＝ Co（D″）；M = Ni（B''）与许多异羟肟酸，RHA（乙酰-（R = CH3），苯并-（R = C6H5）和N-苯基乙酰异羟肟酸（NPhAHA））给出了一系列异羟肟酸酯双桥配合物[M2（ OAc）（RA）2（Im）4] [OTf]和[M2（OPiv）（RA）2（tmen）2] [OTf]；M ＝ Co，Ni，其中桥接的异羟肟酸酯显示出新颖的键合模式，其中去质子化的异羟肟酸酯羟基仅桥接两个金属中心。由NPhAHA形成的这种类型的结构是涉及仲异羟肟酸的第一个实例。这些复合物是产气克雷伯菌脲酶（KAU）的乙酰氧肟酸抑制的C319A变体的良好结构模型，其结构与先前报道的含有tmen封端
• Novel elimination of hydroxylamine and formation of a nickel tetramer on reactions of glutarodihydroxamic acid with model dinickel hydrolases‡
  作者：David A. Brown、Laurence P. Cuffe、Noel J. Fitzpatrick、William K. Glass、Kara Herlihy、Hassan Nimir、Oliver Deeg、William Errington、Terence J. Kemp

  DOI：10.1039/a806911e

  日期：——

  Reactions of glutarodihydroxamic acid with the hydrolase enzyme urease models, [Ni2(µ-H2O)(OAc)4(tmen)2] and [Ni2(OAc)3(urea)(tmen)2][OTf], lead to novel hydroxylamine elimination and formation of [Ni2(OAc)2µ-O(N)(OC)2(CH2)3}(tmen)2][OTf] and the tetramer [Ni4(OAc)2(gluA2)2(tmen)4][OTf]2, respectively, both of which are structurally characterised by X-ray crystallography.

  戊二羟肟酸与水解酶脲酶模型 [Ni2(µ-H2O)(OAc)4(tmen)2] 和 [Ni2(OAc)3(urea)(tmen)2][OTf] 的反应，产生新型羟胺消除和形成 [Ni2(OAc)2µ-O(N)(OC)2(CH2)3}(tmen)2][OTf] 和分别是四聚体[Ni4(OAc)2(gluA2)2(tmen)4][OTf]2，两者均通过X射线晶体学进行了结构表征。
• Hydroxamate-Bridged Dinuclear Nickel Complexes as Models for Urease Inhibition
  作者：M. Arnold、David A. Brown、O. Deeg、W. Errington、W. Haase、K. Herlihy、T. J. Kemp、H. Nimir、R. Werner

  DOI：10.1021/ic9711628

  日期：1998.6.1

  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.
• Wages, Heather E.; Taft, Kingsley L.; Lippard, Stephen J., Inorganic Chemistry, 1993, vol. 32, # 23, p. 4985 - 4987
  作者：Wages, Heather E.、Taft, Kingsley L.、Lippard, Stephen J.

  DOI：——

  日期：——