trans-bis(quinoline-2-carboxylato)bis(ethanol)cobalt(II) | 683773-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: trans-bis(quinoline-2-carboxylato)bis(ethanol)cobalt(II)
• 英文别名: [Co(2-qca)2(EtOH)2]；[Co(quinoline-2-carboxylato)2(ethanol)2]
• CAS: 683773-76-4
• 化学式: C₂₄H₂₄CoN₂O₆
• 分子量: 495.458
• InChiKey: MPKXMAWZFHSNFU-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  喹哪啶酸 、 乙醇 、 cobalt(II) diacetate tetrahydrate 以 水 为溶剂， 反应 4.5h， 以95%的产率得到trans-bis(quinoline-2-carboxylato)bis(ethanol)cobalt(II)
  参考文献：
  名称：

  Co配合物催化芳族二胺与伯醇脱氢偶联直接合成2-取代的苯并咪唑

  摘要：

  设计并合成了具有稳定结构的Co（II）配合物，该配合物由奎宁酸和Co（OAc）2 ·4H 2 O合成。该配合物的单晶结构通过X射线衍射表征。芳香族二胺和伯醇的脱氢偶联反应是通过使用Co（II）配合物作为催化剂来合成2-取代的苯并咪唑的。在温和的反应条件下，以良好的收率获得了一系列2-取代的苯并咪唑。另外，使用该方法以克为单位合成了具有抑制帕金森活性的化合物。最后提出了反应机理，并通过密度泛函理论（DFT）模拟了反应过程中的能量变化。

  DOI：

  10.1039/d0nj03619f
• 作为试剂：
  描述：

  辛醇 、 邻苯二胺 在 trans-bis(quinoline-2-carboxylato)bis(ethanol)cobalt(II) 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以65%的产率得到2-庚基苯并咪唑
  参考文献：
  名称：

  Co配合物催化芳族二胺与伯醇脱氢偶联直接合成2-取代的苯并咪唑

  摘要：

  设计并合成了具有稳定结构的Co（II）配合物，该配合物由奎宁酸和Co（OAc）2 ·4H 2 O合成。该配合物的单晶结构通过X射线衍射表征。芳香族二胺和伯醇的脱氢偶联反应是通过使用Co（II）配合物作为催化剂来合成2-取代的苯并咪唑的。在温和的反应条件下，以良好的收率获得了一系列2-取代的苯并咪唑。另外，使用该方法以克为单位合成了具有抑制帕金森活性的化合物。最后提出了反应机理，并通过密度泛函理论（DFT）模拟了反应过程中的能量变化。

  DOI：

  10.1039/d0nj03619f

文献信息

• Synthesis, Spectroscopy, and Magnetic Properties of Fe ^II and Co ^II Quinoline‐2‐carboxylates − Crystal Structure of <i>trans</i> ‐Bis(quinoline‐2‐carboxylato)bis(propanol)iron( <scp>II</scp> )
  作者：Danuta Dobrzyńska、Marek Duczmal、Lucjan B. Jerzykiewicz、Jolanta Warchulska、Krzysztof Drabent

  DOI：10.1002/ejic.200300327

  日期：2004.1

  in a chelating mode. The axial positions are occupied by propan-1-ol molecules. The spectral studies indicate the same molecular structure for all three compounds. The magnetic susceptibility and the magnetization of 2 were calculated for Co2+ ions in an octahedral crystal field with a rhombic zero field distortion (|D| = 34 cm−1, E ≈ 0, giso = 2.35 and N = 6.9·10−4 emu·mol−1). (© Wiley-VCH Verlag GmbH

  新的配位化合物 [Fe(quin-2-c)2(EtOH)2] (1)、[Co(quin-2-c)2(EtOH)2] (2) 和 [Fe(quin-2) -c)2(PrOH)2] (3)（其中 quin-2-c = quinoline-2-carboxylate）已经合成并通过配体场、红外、拉曼和穆斯堡尔光谱以及磁性测量进行了研究。已经对 3 的结构进行了 X 射线分析，并将其改进为 0.0377 的 R 因子。该化合物在单斜空间群 P21/n 中结晶，a = 6.104(1), b = 10.515(2), c = 19.339(4) A, β = 92.57(3)°。FeII 离子周围的反式 N2O4 环境具有扭曲的八面体几何形状，quin-2-c 离子以螯合模式与赤道平面中的铁配位。轴向位置被丙-1-醇分子占据。光谱研究表明所有三种化合物具有相同的分子结构。计算 Co2+ 离子在菱形零场畸变
• Co(II)-promoted transformation of diethyl(quinolin-2-ylmethyl)phosphonate to quinoline-2-carboxylate (2-qca): Synthetic, structural and magnetic studies of [Co(2-qca)2(EtOH)2]
  作者：B. Żurowska、A. Brzuszkiewicz

  DOI：10.1016/j.poly.2008.01.028

  日期：2008.4

  The interaction of the dietliyl(quinolin-2-ylmethyl)phosphonate (2-qmpe) ligand with COCl2 center dot 2H(2)O unexpectedly leads to the formation of a compound with the formula [Co(2-qca)(2)(EtOH)(2)] (2-qca = quinoline-2-carboxylate). This compound is a product of the oxidative cleavage of the C-P bond in 2-qmpe and the formation of the 2-qca ligand. The title compound was characterized by infrared, ligand field, EPR spectroscopy and low temperature magnetic (1.8-300 K) studies. Particularly, the crystal and molecular structures were determined by the X-ray diffraction. The CoN2O4 chromophore shows an elongated octahedron geometry, resulting from the two didentate N,O-bonded chelate ligands and two ethanol molecules - quinolil nitrogen atoms are located in axial positions and oxygen atoms are positioned in the basal plane. The crystal packing is due to hydrogen bonds and pi-pi stacking interactions, which give rise to a three-dimensional (3D) polymeric network. The magnetic properties reflect the molecular character of the compound, with a very weak magnetic exchange interaction. The moments are enhanced due to an important orbital contribution via spin-orbit coupling. (C) 2008 Elsevier Ltd. All rights reserved.
• Important Role of Intermolecular Interaction in Cobalt(II) Single-Ion Magnet from Single Slow Relaxation to Double Slow Relaxation
  作者：Zhao-Bo Hu、Zhao-Yang Jing、Miao-Miao Li、Lei Yin、Yan-Dong Gao、Fei Yu、Tuo-Ping Hu、Zhenxing Wang、You Song

  DOI：10.1021/acs.inorgchem.8b01389

  日期：2018.9.4

  Two cobalt complexes with similar structures were synthesized using quinoline-2-carboxylic acid (HL) as the ligand. Both complexes are six-coordinated in antitriangular prism coordination geometries. There are one and four molecule units per cell for 1 and 2, respectively, with nearest Co-Co distances of 7.129 and 5.855 angstrom, respectively, which lead to their intermolecular interactions zj'. Both complexes are field-induced single-ion magnets. Complex 1 shows single slow relaxation under H-dc = 1.5 kOe attributed to the moment reversal, while complex 2 shows double slow relaxation resulting from intermolecular dipolar interaction and moment reversal, respectively.