[bis(μ-acetato)(μ-aqua)bis(acetato)bis(N,N,N',N'-tetramethylethylenediamine)dicobalt(II)] | 82421-96-3

• 英文名称: [bis(μ-acetato)(μ-aqua)bis(acetato)bis(N,N,N',N'-tetramethylethylenediamine)dicobalt(II)]
• 英文别名: [Co2(OAc)4(H2O)(tmen)2]；(Co2(μ-H2O)(μ-OAc)2(OAc)2(tmen)2)；[Co2(OAc)4(H2O)(N,N,N',N'-tetramethylethylenediamine)2]
• CAS: 82421-96-3
• 化学式: C₂₀H₄₆Co₂N₄O₉
• 分子量: 604.593
• InChiKey: JKVZYEKJKNVLDS-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：

  [bis(μ-acetato)(μ-aqua)bis(acetato)bis(N,N,N',N'-tetramethylethylenediamine)dicobalt(II)] 以 甲醇 、 二氯甲烷 为溶剂， 生成 [(μ-acetato)bis(μ-acetohydroxamate)bis(N,N,N',N'-tetramethylethylenediamine)dicobalt(II)] trifluoromethanesulfonate
  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 、 cobalt(II) acetate 在 H₂O 作用下， 以 乙醇 、 水 为溶剂， 生成 [bis(μ-acetato)(μ-aqua)bis(acetato)bis(N,N,N',N'-tetramethylethylenediamine)dicobalt(II)]
  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
• Magnetic, Spectroscopic, and Structural Studies of Dicobalt Hydroxamates and Model Hydrolases
  作者：David A. Brown、W. Errington、W. K. Glass、W. Haase、T. J. Kemp、H. Nimir、S. M. Ostrovsky、R. Werner

  DOI：10.1021/ic0103345

  日期：2001.11.1

  The cobalt(II) urease model complex [Co-2(mu -OAc)(3)(urea)(tmen)(2)][OTf] (2) prepared from the cobalt model hydrolase [Co-2(mu -H2O)(mu -OAc)(2)(OAc)(2)(tmen)(2)] (1) undergoes facile reaction with acetohydroxamic acid (ARA) to give the monobridged hydroxamate, complex [Co-2(mu -OAc)(2)(mu -AA)(urea)(tmen)(2)][OTf] (3) while 1 gives the dibridged hydroxamate complex [Co-2(mu -OAc)(mu -AA)(2)(tmen)(2)][OTf] (4). The structures and Co-Co distances of the hydroxamate derivatives of 1 and 2 are very close to those of their nickel analogues and suggest that hydroxamic acids can also inhibit cobalt-based hydrolases as well as inhibiting urease 1 also reacts, with glutarodihydroxamic acid (gluH(2)A(2)) to eliminate hydroxylamine with formation of [CO2(mu -OAC)(2)mu -O(N) (OC)2(CH2)(3)}(tmen)(2)][OTf] (5), the structure of which is very close to that of its, nickel analogue. Both 1 and 3 show weak antiferromagnetic coupling. Oxidation of 1 with H2O2 gives three dicobalt(M) hydroxy complexes (7-9), the first of which [Co-2(mu -OAc)(2)(OAc)(2) mu -OH)(tmen)(2)][OTf] (7) contains a bridging hydroxyl and the second [CO2(mu -OAc)(2)(OAc)(mu -OH)(OH)(tmen)(2)][OTf] (8) containing both a bridging and terminal hydroxyl, while the third [Co-2(mu -OAc): (OAC)(2)(mu -OM)(2)(tmen)(2)][OTf] (9) contains, two bridging OH groups with mixed-valence Co(II)/(Co(III) intermediates.