copper squarate | 33684-92-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酸
• 英文名称: copper squarate
• 英文别名: copper(II) squarate；Copper;3,4-dioxocyclobutene-1,2-diolate
• CAS: 33684-92-3
• 化学式: C₄O₄*Cu
• 分子量: 175.588
• InChiKey: CMYRIGPIFITNSY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper squarate 、 N-甲基乙二胺 以 neat (no solvent) 为溶剂， 生成 [Cu(N-methylethane-1,2-diamine)(squarate)]
  参考文献：
  名称：

  摘要：

  CuL2C4O4 [L=ethane-1,2-diamine (en)], CuL2C4O4.2H(2)O [L=N-methylethane-1,2-diamine (meen), N-ethylethane-1,2-diamine (eten), N-propylethane-1,2-diamine (pren), N-methyl-N'-ethylethane-1,2-diamine (meeten) and propane-1,2-diamine (pn)], CuL2C4O4.0.5H(2)O [L=N,N'-dimethylethane-1,2-diamine (dmeen)], CuL2C4O4.4H(2)O [L=propane-1,2-diamine (pn)] and CuL2C4O4-.H2O [L=2-methylpropane-1,2-diamine (ibn)] have been synthesized by the addition of respective diamine to finely powdered CuC4O4.2H(2)O and their thermal studies have been carried out in the solid state. Cu(en)(2)C4O4 upon heating loses one molecule of diamine with sharp colour change yielding Cu(en)C4O4 which upon further heating transforms to unidentified products. All aquated-bis-diamine species [CuL2C4O4.2H(2)O, CuL2C4O4.0.5H(2)O and CuL2C4O4.H2O] upon heating undergo deaquation-anation reaction in the solid state showing thermochromism and transform to CuL2C4O4, which revert on exposure to humid atmosphere (RH similar to90%), All the squarato bis-diamine species, CuL2C4O4, on further heating transform to unidentified products through the formation of CuLC4O4 as intermediates. The mono diamine species, have been isolated pyrolytically in the solid state and can be stored in a desiccator as well as in open atmosphere. They are proposed to be polymeric.

  DOI：

  10.1023/a:1014911205168
• 作为产物：
  描述：

  copper(II) squarate dihydrate 在 P₄O₁₀ 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 copper squarate
  参考文献：
  名称：

  无水 CuC4O4，一种从 X 射线粉末衍射数据求解的通道结构

  摘要：

  新的无水金属方酸 CuC4O4 的晶体结构是从实验室 X 射线粉末衍射数据中得到的。它在单斜空间群 I2 / a (no.15) 中结晶，晶格参数 a = 5.6747 (1), b = 8.9394 (4), c = 9.4987 (4) A 和 β = 94.372 (2) ° 在环境条件下条件（Z = 4，RF2 = 8.24%）。晶体结构可以简化为 AlB2 类型结构的缺陷变体 ([C4O4] [Cu □] ⇔ [Al] [B2])，并显示平行于 a 轴的通道，自由直径约为 2.3A。在这种情况下，平方二价阴离子 [C4O4] 2- 充当 μ6 配体。

  DOI：

  10.1002/zaac.200500232