[Cu2(μ-trimetylacetate)4(HOMe)2] | 815579-88-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Cu2(μ-trimetylacetate)4(HOMe)2]
• 英文别名: [Cu2(trimethylacetate)4(methanol)2]；[Cu2(Piv)4(MeOH)2]；[Cu2(μ-pivalate)4(HOMe)2]；[Cu2(pivalato)4(MeOH)2]
• CAS: 815579-88-5
• 化学式: C₂₂H₄₄Cu₂O₁₀
• 分子量: 595.677
• InChiKey: FOMXOJXWANLDKC-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：

  二氯甲烷 、 2-(1-methylimidazol-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole 3-oxide-1-oxyl 、 [Cu2(μ-trimetylacetate)4(HOMe)2] 以 二氯甲烷 为溶剂， 以98%的产率得到[Cu(II)(trimethylacetate)2(4,4,5,5-tetramethyl-2-(1-methyl-1H-imidazol-5-yl)-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl)2]*CH2Cl2
  参考文献：
  名称：

  “Jumping Crystals”: Oxygen-Evolving Metal-Nitroxide Complexes

  摘要：

  The crystals of heterospin complexes [M(hfac)(2)L-2] (where M = Cu, Ni, Co, or Mn; hfac = hexafluoroacetylacetonate; and L = nitronyl nitroxide, 4,4,5,5-tetramethyl-2-(1-methyl-1H-imidazol-5-yl)-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl) were found to make unusual jumping motions. Under ambient conditions, the jumping and various displacements of crystals lasted for several weeks. The mechanical motion was accompanied by the cracking and disintegration of crystals, and a solid [M(hfac)(2)(L-f)(2)] complex with the corresponding imino nitroxide 4,4,5,5-tetramethyl-2-(1-methyl-1H-imidazol-5-yl)-4,5-dihydro-1H-imidazole-l-oxyl (L-1) was detected. The jumping was accompanied by the spontaneous elimination of oxygen, the source of which was the nitronyl nitroxyl fragment of coordinated L. An X-ray study of [M(hfac)(2)L-2] (where M = Cu, Ni, Co, or Mn) showed that the molecular structure of all [M(hfac)(2)L-2] and their packing in the solid state were identical. The packing of [M(hfac)(2)L-2] was concluded to be critical to the mechanical effect. In complexes with different stoichiometries or different sets of diamagnetic ligands ([Cu(hfac)(2)L](2), [Cu(hfac)(acac)L] center dot EtOH, [CuPiv(2)L(2)] center dot 2CH(2)Cl(2), and [Cu(hfac)(2)L(2)Cu(2)Piv(4)] center dot 3C(7)H(8) (where acac is acetylacetonate and Piv is trimethylacetate), or free L), the effect vanished when the packing changed.

  DOI：

  10.1021/ic1022483
• 作为产物：
  描述：

  甲醇 、 三甲基乙酸 、 copper(II) nitrate trihydrate 在 (C₂H₅)3N 作用下， 以 甲醇 为溶剂， 以50%的产率得到[Cu2(μ-trimetylacetate)4(HOMe)2]
  参考文献：
  名称：

  An alcoholysis route to a Cu16 cluster, and the influence of the alcohol

  摘要：

  对特戊酸铜（II）溶液的醇解进行系统研究后，根据用作溶剂的醇的不同，得到了一系列Cu2、Cu6和Cu16产物。当使用PrnOH或BunOH时，产物是几乎同构的簇[Cu16O4(OH)4(OR)8(piv)12(ROH)]（R = Prn，Bun）。Cu16簇具有S = 0自旋基态的反铁磁耦合。

  DOI：

  10.1039/c002925b

文献信息

• Binuclear transition-metal trimethylacetato complexes containing coordinated 3,5-dimethylpyrazole as structural analogues of the active site of natural metalloenzymes
  作者：S. E. Nefedov

  DOI：10.1134/s0036023606130031

  日期：2006.1

  Synthetic approaches are discussed to prepare binuclear trimethylacetato complexes of zinc, copper, cobalt, and nickel containing an M-2(mu-OOCR)(2)L-4 binuclear fragment, which is found in the active site of natural metalloenzymes.