dichloro(ethylenediamine)zinc

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: dichloro(ethylenediamine)zinc
• 英文别名: Dichlorozinc;ethane-1,2-diamine；dichlorozinc;ethane-1,2-diamine
• 化学式: C₂H₈Cl₂N₂Zn
• 分子量: 196.395
• InChiKey: JRACSIVALHTHBR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.28
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro(ethylenediamine)zinc 、 丙烯酸 以 水 为溶剂， 反应 24.0h， 以45%的产率得到(ethylenediamine-N,N-di-3-propionato)zinc(II) chloride
  参考文献：
  名称：

  Dichloro(ethylenediamine-N,N-di-3-propionato)zinc: Synthesis and crystal structure

  摘要：

  Dichloro(ethylenediamine-N,N-di-3-propionato)zinc (I) has been synthesized for the first time by the reaction between acrylic acid and ethylenediamine coordinated with ZnCl2 in an aqueous medium. Complex I has been characterized by IR, Raman, and H-1,C-13 NMR spectroscopy, mass spectrometry, and elemental analysis. The X-ray diffraction analysis of complex I has also been performed. Crystals are monoclinic, D degrees = 9.7792(4) , b = 9.9805(4) , c = 13.1130(5) , beta = 101.5620(10)A degrees, space group D 2(1)/c, Z = 4, V = 1253.88(9) (3), rho(calc) = 1.804 g/cm(3). The coordination polyhedra of Zn atoms in complex I are slightly distorted {ZnCl2O2} tetrahedra, each of which are built of two chlorine atoms and the carboxyl oxygen atoms of the two propionic groups of two ligand molecules and form a polymeric layer parallel to crystallographic plant (100). Bond lengths are Zn-D 1.970(1) and 1.976(1); Zn-Cl 2.2600(4) and 2.2693(4) . The ligand molecule in complex I has a double betaine structure.

  DOI：

  10.1134/s0036023617100187
• 作为产物：
  描述：

  乙二胺 、 zinc(II) chloride 以 甲醇 为溶剂， 以90%的产率得到dichloro(ethylenediamine)zinc
  参考文献：
  名称：

  Dichloro(ethylenediamine-N,N-di-3-propionato)zinc: Synthesis and crystal structure

  摘要：

  Dichloro(ethylenediamine-N,N-di-3-propionato)zinc (I) has been synthesized for the first time by the reaction between acrylic acid and ethylenediamine coordinated with ZnCl2 in an aqueous medium. Complex I has been characterized by IR, Raman, and H-1,C-13 NMR spectroscopy, mass spectrometry, and elemental analysis. The X-ray diffraction analysis of complex I has also been performed. Crystals are monoclinic, D degrees = 9.7792(4) , b = 9.9805(4) , c = 13.1130(5) , beta = 101.5620(10)A degrees, space group D 2(1)/c, Z = 4, V = 1253.88(9) (3), rho(calc) = 1.804 g/cm(3). The coordination polyhedra of Zn atoms in complex I are slightly distorted {ZnCl2O2} tetrahedra, each of which are built of two chlorine atoms and the carboxyl oxygen atoms of the two propionic groups of two ligand molecules and form a polymeric layer parallel to crystallographic plant (100). Bond lengths are Zn-D 1.970(1) and 1.976(1); Zn-Cl 2.2600(4) and 2.2693(4) . The ligand molecule in complex I has a double betaine structure.

  DOI：

  10.1134/s0036023617100187

文献信息

• Interactions of zinc(II) complexes with 5′-GMP and their cytotoxic activity
  作者：Tanja V. Soldatović、Enisa Selimović、Biljana Šmit、Darko Ašanin、Nevena S. Planojević、Snežana D. Marković、Ralph Puchta、Basam M. Alzoubi

  DOI：10.1080/00958972.2019.1569229

  日期：2019.2.16

  structures of the final products in solution were obtained from the DFT calculations (B3LYP/6-31G(d)) and experimental 1H NMR data acquired during the course of the reaction. The cytotoxic activity of zinc(II) complexes was tested on human breast cancer cell line MDA-MB-231, human colon cancer cell line HCT-116 and normal human lung fibroblast cell line MRC-5. Both complexes reduced cell viabilities, while

  摘要 四面体 [ZnCl2(en)] 和方形锥体 [ZnCl2(terpy)] 配合物（其中 en = 1,2-二氨基乙烷或乙二胺和 terpy = 2,2':6',2''-已通过 1 H NMR 光谱研究了由鸟苷-5'-单磷酸酯（5'-GMP）组成的三联吡啶）。[ZnCl2(terpy)]配合物的取代反应比[ZnCl2(en)]的反应速度快，后者在48小时后完成。从 DFT 计算 (B3LYP/6-31G(d)) 和反应过程中获得的实验 1H NMR 数据获得有关溶液中最终产物结构的信息。在人乳腺癌细胞系 MDA-MB-231、人结肠癌细胞系 HCT-116 和正常人肺成纤维细胞系 MRC-5 上测试了锌 (II) 复合物的细胞毒活性。两种复合物都降低了细胞活力，而 [ZnCl2(terpy)] 在 72 小时后对 MDA-MB-231 和 HCT-116 在 24 小时后具有显着的细胞毒性，且无剂量依赖性。Zn(II)
• Interactions of nitrogen-donor biomolecules with copper(II) complexes in Tris buffer
  作者：Enisa Selimović、Andrei V. Komolkin、Diana A. Davletbaeva、Andrei V. Egorov、Tanja V. Soldatović

  DOI：10.1080/00958972.2020.1730336

  日期：2020.1.2

  reacts with [CuCl2(en)], and likely the complex geometry remains square-planar. Kinetic results have shown that the order of reactivity of nucleophiles towards [CuCl2(en)] in solution for both reaction steps is 1,2,4-triazole > imidazole > pyrazine. The order of reactivity of the azole and diazine ligands toward [CuCl2(terpy)] for the first reaction step is imidazole > 1,2,4-triazole > pyrazine, while

  摘要 进行了全面的摩尔比、动力学、EPR 和 X 射线研究以研究方形平面 [CuCl2(en)]（en = 乙二胺）和方形锥体 [CuCl2(terpy)]（terpy = 2，在 0.010 M Tris-HCl 缓冲液（pH = 7.4）中，在 0.010 M NaCl 存在下，2':6',2”-三联吡啶）与生物相关亲核试剂在 295 K 形成复合物。根据摩尔比和 EPR 研究，Tris 缓冲液与 [CuCl2(en)] 发生反应，并且复杂的几何形状可能保持方形平面。动力学结果表明，对于两个反应步骤，亲核试剂对溶液中 [CuCl2(en)] 的反应性顺序是 1,2,4-三唑 > 咪唑 > 吡嗪。在第一步反应中，唑和二嗪配体对 [CuCl2(terpy)] 的反应性顺序是咪唑 > 1,2,4-三唑 > 吡嗪，而第二个是吡嗪> 1,2,4-三唑>咪唑。X 射线研究表明乙二胺对 Cu(II)
• Dichloro(ethylenediamine-N,N-di-3-propionato)zinc: Synthesis and crystal structure
  作者：N.V. Tsirul’nikova、O.N. Volosneva、E.S. Dernovaya、I.V. Ananyev、V.V. Podgorskii

  DOI：10.1134/s0036023617100187

  日期：2017.10

  Dichloro(ethylenediamine-N,N-di-3-propionato)zinc (I) has been synthesized for the first time by the reaction between acrylic acid and ethylenediamine coordinated with ZnCl2 in an aqueous medium. Complex I has been characterized by IR, Raman, and H-1,C-13 NMR spectroscopy, mass spectrometry, and elemental analysis. The X-ray diffraction analysis of complex I has also been performed. Crystals are monoclinic, D degrees = 9.7792(4) , b = 9.9805(4) , c = 13.1130(5) , beta = 101.5620(10)A degrees, space group D 2(1)/c, Z = 4, V = 1253.88(9) (3), rho(calc) = 1.804 g/cm(3). The coordination polyhedra of Zn atoms in complex I are slightly distorted ZnCl2O2} tetrahedra, each of which are built of two chlorine atoms and the carboxyl oxygen atoms of the two propionic groups of two ligand molecules and form a polymeric layer parallel to crystallographic plant (100). Bond lengths are Zn-D 1.970(1) and 1.976(1); Zn-Cl 2.2600(4) and 2.2693(4) . The ligand molecule in complex I has a double betaine structure.