(+ac,-ac)-trans-bis(hinokitiolato)copper(II) | 14076-63-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+ac,-ac)-trans-bis(hinokitiolato)copper(II)
• 英文别名: [Cu(II)(4-isopropyltropolone)2]；copper;7-oxo-5-propan-2-ylcyclohepta-1,3,5-trien-1-olate
• CAS: 14076-63-2
• 化学式: C₂₀H₂₂CuO₄
• 分子量: 389.938
• InChiKey: XFKDSBAGPKYIQJ-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

• 作为反应物：
  描述：

  2,2'-联吡啶 、 (+ac,-ac)-trans-bis(hinokitiolato)copper(II) 以 甲苯 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  The structural chemistry of copper(II) hinokitiol and its adducts

  摘要：

  The structure of copper(II) hinokitiol has been determined. Two modifications are possible, one containing only isolated, four-coordinate, square-planar complexes, while a second modification contains both monomers, along with eclipsed and staggered dimers generated through intermolecular O-->Cu interactions. Five-coordinate copper is also present in the adduct Cu(hino)(2). pyridine, whose structure has also been determined for comparison. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01064-1
• 作为产物：
  描述：

  桧木醇 、 copper(ll) sulfate pentahydrate 以 乙醇 、 水 为溶剂， 以76.5%的产率得到(+ac,-ac)-trans-bis(hinokitiolato)copper(II)
  参考文献：
  名称：

  Synthesis, solid-state characterization and antimicrobial activities of three different polymorphs of a copper(II) complex with 4-isopropyltropolone (hinokitiol)

  摘要：

  There exist at least three different polymorphs in the copper(II) complex [Cu(hino)(2)] with a hinokitiol ligand (Hhino; 4-isopropyltropolone (1)). In addition to deep-green plate crystals la and deep-green rod crystals 1b, whose crystal structures have been recently reported, novel green needle crystals Ic of [Cu(hlno)(2)] were found, the crystal structure of which was here determined by single-crystal X-ray analysis. Since only one crystal structure has been reported for the copper(II) complex [Cu(trop)(2)] with a tropolone ligand (Htrop), the polymorphism found in the crystals of [Cu(hino)(2)] would be due to the presence of the isopropyl group on the tropolone ring. The synthetic conditions giving the three polymorphs in good yields were found and the crystals were characterized with elemental analysis, FT-IR, TG/DTA and X-ray powder diffraction (XPD) measurements, as well as solution molecular weight measurements for la. The solid-state magnetic behaviors or the temperature-dependent magnetic susceptibilities were measured with Superconductivity Quantum Interference Devices (SQUID): la showed a weak ferromagnetic interaction, 1b showed a paramagnetic nature with S = 1/2, while 1c showed a weak anti ferromagnetic interaction. The antimicrobial activities for selected bacteria, yeasts and molds were also measured in the water-suspension system: 1a and 1b showed no activity, while 1c showed modest activities, and these activities were compared with those of the neutral Hino and the anionic hino(-) ligands. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.10.003

文献信息

• Preparation, characterization, and study of the antimicrobial activity of a Hinokitiol-copper(II)/γ-cyclodextrin ternary complex
  作者：Rina Suzuki、Yutaka Inoue、Isamu Murata、Harue Nomura、Yasunori Isshiki、Masashi Hashimoto、Yasuhiro Kudo、Hiroaki Kitagishi、Seiichi Kondo、Ikuo Kanamoto

  DOI：10.1016/j.molstruc.2019.05.078

  日期：2019.10

  (ESR) spectroscopy were performed to assess the complex in a solid state. Agar dilution was used to determine the minimum inhibitory concentration (MIC) of HT-Cu complex and the ternary inclusion complex with respect to Escherichia coli, Bacillus subtilis, Staphylococcus aureus, and Pseudomonas aeruginosa. Key findings A ternary HT-Cu/γCD inclusion complex formed as a result of coprecipitation. Results

  摘要 目的本研究的目的是通过共沉淀制备桧醇 (HT)、金属离子 (Cu (II)) 和 γ-环糊精 (γCD) 的三元络合物，并评估其理化性质和络合对HT 的抗菌活性。方法 进行单晶 X 射线结构分析、粉末 X 射线衍射 (PXRD)、近红外 (NIR) 吸收光谱和电子自旋共振 (ESR) 光谱以评估固态复合物。琼脂稀释用于确定 HT-Cu 复合物和三元包合物对大肠杆菌、枯草芽孢杆菌、金黄色葡萄球菌和铜绿假单胞菌的最小抑制浓度 (MIC)。主要发现 由于共沉淀形成了三元 HT-Cu/γCD 包合物。抗菌试验结果表明，与单独使用 HT 相比，三元 HT-Cu/γCD 包合物具有更高的抗菌活性。三元复合物的抗菌活性水平具有与HT/γCD包合物相当的作用。结论 HT 的抗菌作用可能可以通过在某些应用中将 HT 包含在 CD 中而不含金属来利用。目前的结果应该为使用桧醇作为人类和环境友好的抗菌剂提供基础。结论
• Two new polymorphs of<i>trans</i>-bis(hinokitiolato)copper(II)
  作者：Georgia M. Arvanitis、Michael E. Berardini、Douglas M. Ho

  DOI：10.1107/s0108270104001957

  日期：2004.3.15

  The title complex [systematic name: trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trienolato)copper(II)], [Cu(C10H11O2)(2)], is a substance possessing antimicrobial activity. The compound crystallizes in a number of polymorphic forms, the structures for two of which are reported here. Stacks of square-planar molecules exhibiting weak intermolecular copper-olefin pi interactions (not observed in earlier reports on this substance) are described. The molecules have crystallographically imposed inversion symmetry, with stacking and copper-olefin pi distances ranging from 3.226 (2) to 3.336 (1) Angstrom.