copper dimethylmalonate | 149996-75-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: copper dimethylmalonate
• 英文别名: Copper;2,2-dimethylpropanedioate；copper;2,2-dimethylpropanedioate
• CAS: 149996-75-8
• 化学式: C₅H₆O₄*Cu
• 分子量: 193.646
• InChiKey: HACQKLDMWSFTIP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.49
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 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 dimethylmalonate 、 哌嗪,1,4-二(4-吡啶基羰基)- 以 乙醇 、 水 为溶剂， 反应 168.0h， 以47%的产率得到[Cu₂(dimethylmalonate)₂(bis(4-pyridylformyl)piperazine)]_n
  参考文献：
  名称：

  Structural diversity and variable temperature magnetic properties in copper dimethylmalonate coordination polymers containing dipyridyl-type coligands

  摘要：

  Four copper dimethylmalonate (dmmal) phases containing long-spanning dipyridyl coligands have been prepared and structurally characterized by single-crystal X-ray diffraction. {[Cu-2(dmmal)(2)(edin)(H2O)(2)]center dot 3H(2)O}(n) (1, edin = N,N'-(ethane-1,2-diyl)diisonicotinamide) and {[Cu-2(dmmal)(2)(bdin)(H2O)(2)]center dot 2H(2)O}(n) (2, bdin = N,N'-(butane-1,4-diyl)diisonicotinamide) both show (6,3) herringbone layers constructed from the edin pillaring of [Cu(H2O)(dmmal)](n) chain motifs, that feature embedded equatorial-equatorial bridged (Cu(OCO)}(n) chains.[Cu-2(dmmal)(2)(bPmP)](n) (3, bpmp = bis(4-pyridylmethyl)piperazine) shows a decorated (4,4) grid topology built from bpmp pillared [Cu-2(dmmal)(2)](n) ribbon motifs, that feature embedded (Cu-2(OCO)(4)} paddlewheel dimeric units. [Cu-2(dmmal)(2)(bpfp)](n) (4, bpfp = bis(4-pyridylformyl)piperazine) shows a 5-connected non-interpenetrated 3D 4(4)6(6) sqp topology, formed from the bpfp pillaring of rectangular equatorial-equatorial bridged [Cu-2(dmmal)(2)](n) layers. Variable temperature magnetic studies were carried out on 1, 2 and 4, indicating predominant ferromagnetic superexchange within their equatorial-equatorial {Cu(OCO)}(n) chain motifs. (C) 2019 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2019.06.018
• 作为产物：
  描述：

  2,2-dimethylmalonate 、 copper(II) nitrate 以 水 为溶剂， 生成 copper dimethylmalonate
  参考文献：
  名称：

  Amico, Paola; Bonomo, Raffaele P.; Calì, Rosario, Inorganic Chemistry, 1989, vol. 28, # 18, p. 3555 - 3561

  摘要：

  DOI：

文献信息

• Unsubstituted and substituted copper malonate coordination polymers with isomeric dipyridylamide ligands: Chain, layer, diamondoid, and self-penetrated topologies
  作者：Brandon S. Stone、Richard J. Staples、Robert L. LaDuca

  DOI：10.1016/j.ica.2016.03.015

  日期：2016.5

  Six dual-ligand divalent copper malonate coordination polymers have been prepared via solvent diffusion methods, and structurally characterized by single-crystal X-ray diffraction. The resulting dimensionality and topology depend crucially on the steric bulk of the malonate ligand and the nitrogen donor disposition within the dipyridylamide coligand. [Cu(mal)(3-pina)(H2O)]·2H2O}n (1, mal = malonate

  通过溶剂扩散法制备了六种双配体二价丙二酸铜配位聚合物，并通过单晶X射线衍射对其结构进行了表征。所产生的尺寸和拓扑结构主要取决于丙二酸酯配体的空间体积和二吡啶基酰胺大分子内氮供体的位置。[Cu（mal）（3-pina）（H2O）]·2 } n（1，mal =丙二酸酯，3-pina = 3-吡啶基异烟酰胺）具有简单的1-D链结构，而异构体4-吡啶基烟酰胺（ 4-pna）配体在[Cu（mal）（4-pna）（ ）]·3 } n（2）中提供了两个互穿的（6,3）网格层结构。在合成过程中使用二甲基丙二酸铜（dmmal）可以合成（4,4）网格层状相[Cu2（dmmal）2（4-pna）2（ ）3]·7 } n（3）和[ Cu2（dmmal）2（3-pina）2]·9.5 } n（4），该图展示了由[Cu4（dmmal）4]四核簇构建的三重互穿的类金刚石网，带有大的充满水
• Steric effects on the structure of copper malonate coordination polymers containing 1,3-di(4-pyridyl)propane
  作者：Brandon S. Stone、Robert L. LaDuca

  DOI：10.1016/j.poly.2014.07.012

  日期：2014.10

  Slow diffusion of aqueous solutions of copper dicarboxylate precursors with ethanolic solutions of 1,3-di(4-pyridyl)propane (dpp) afforded three different coordination polymers whose dimensionality and topology depends critically on the steric bulk of the malonate ligand. The new phases were characterized by single-crystal X-ray diffraction, and were analyzed by infrared spectroscopy. Using the unsubstituted parent malonate ligand (mal), the complex phase [Cu(dpp)(2)(H2O)][Cu(mal)(2)(dPp)][Cu(mal)(dPP) (H2O)]center dot 12H(2)O}(n) (1) was obtained. Its crystal structure shows the interweaving of cationic layer, anionic chain, and neutral chain motifs to give a rare 2D + 1D + 1D -> 3D topology. Utilizing the sterically bulkier dimethylmalonate (dmmal) ligand afforded [Cu(dmmal)(dpp)(H2O)]center dot 3H(2)O}(n) (2), which shows a simple neutral (4,4) grid topology. [Cu(dpp)(2)][Cu(emal)(2)]center dot 6H(2)O}(n) (3, emal = ethylmalonate) manifests cationic ribbon motifs and coordination complex anions. Thermal properties of these materials are also discussed. (C) 2014 Elsevier Ltd. All rights reserved.
• US4098830A
  申请人：——

  公开号：US4098830A

  公开（公告）日：1978-07-04