tetraaquabis(saccharinato) copper(II) dihydrate | 147129-33-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: tetraaquabis(saccharinato) copper(II) dihydrate
• 英文别名: copper;1,1-dioxo-1,2-benzothiazol-2-id-3-one;tetrahydrate
• CAS: 147129-33-7；149989-22-0
• 化学式: C₁₄H₁₆CuN₂O₁₀S₂
• 分子量: 499.966
• InChiKey: JHFRHWPPUMTKRA-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：

  tetraaquabis(saccharinato) copper(II) dihydrate 、 C.I.酸性橙108 以 甲醇 、 异丙醇 为溶剂， 以81%的产率得到bis(μ-diethanolaminato)bis(saccharinato) dicopper(II)
  参考文献：
  名称：

  Saccharin complexes of Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) with ethanolamine and diethanolamine: synthesis, spectroscopic and thermal characteristics. Crystal structures of [Zn(ea)2(sac)2] and [Cu2(μ-dea)2(sac)2]

  摘要：

  New mixed ligand Co(II), Ni(II), Cu(II), Zn(II). Cd(II) and Hg(II) complexes of saccharin (sac) with ethanolamine (ea) and diethanolamine (dea) were synthesized and characterized by elemental analyses, magnetic moments, UV-Vis and IR spectra. The Co(II)-ea, Co(II)-dea and Cu(Il)-dea complexes are dimeric, while all the other complexes of ea and dea are mononuclear. The crystal structures of [Zn(ea)(2)(sac)(2)] and [Cu-2(mu -dea)=(sac)(2)] complexes were determined by single crystal X-ray diffraction. In the Zn(II) complex, the Zn(II) ion sits on a center of symmetry and is octahedrally coordinated by two bidentate ea (N, O) and two monodentate sac (N) ligands. The centrosymmetric binuclear Cu(II) complex contains two strongly distorted square-planarly coordinated Ctl(II) ions bridged by two alkoxo groups of the deprotonated dea. The dea ligand also coordinates to the Cu(II) ions through its nitrogen, while the other ethanolic group does not involve in coordination. The saccharinate anion coordinates to the Cu(II) ion with its nitrogen. Thermal behavior of the complexes was studied using DTA and TG in nitrogen atmosphere. Endothermic degradation of the ea and dea ligands occurs in the first stages of decomposition and the sac anions decompose at higher temperatures to give corresponding metal oxides or metals. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00930-5
• 作为产物：
  描述：

  [Cu(sac)₂(H₂O)₄]*2H₂O 以 neat (no solvent) 为溶剂， 生成 tetraaquabis(saccharinato) copper(II) dihydrate
  参考文献：
  名称：

  糖精作为通用的多功能配体。四个不同的配位模式，错误的化合价和来自单个反应系统的主要聚集体结构。

  摘要：

  由铜，糖精和辅助配体H（2）O，PPh（3）和NH（3）组成的反应系统产生一系列化合物，其中糖精以四种不同的方式与铜配位。复杂的反式[[Cu（sacch）（2）（H（2）O）（4）]]（2）（通过反式[[Cu（sacch）（2）（H（2）O）的热脱水制得4）]。2H（2）O（1））与三苯基膦在CH（2）Cl（2）中反应，以产生任何或全部三个Cu（I）配合物，具体取决于条件。三种Cu（I）化合物为Cu（sacch）（PPh（3））（3）（3），其中糖精盐通过配体Cu（sacch）（PPh（3））（ 2）（4），其中sacch通过其带电荷的氮原子与Cu结合；和[Cu（sacch）（PPh（3））]（2）（5），一种双核络合物，其中糖精通过亚氨酸氮和羰基氧原子桥接两个Cu中心。配合物3-5可以单独分离，尽管在溶液中它们以配合物平衡存在，该平衡已通过NMR光谱检查。三种Cu（I）产物均与CH（2）

  DOI：

  10.1021/ic010300x

文献信息

• Three novel complexes of copper: synthesis, characterization, crystal structure, HSA-binding and docking studies, and antiproliferative activity
  作者：Malihe Zahmati Eraj、Lars Eriksson、Mohammad Ramezani、Mona Alibolandi、Maryam Babaei、Amir Sh. Saljooghi

  DOI：10.1007/s13738-020-02067-x

  日期：2021.4

  study aims to synthesize new copper(II) complexes in the presence of maltol, sodium saccharin and 3-hydroxyflavone. Characterization of the structure of Cu(II) complexes was carried out by FT-IR, CHN analysis and X-ray crystallography. Methods including fluorescence spectroscopy and molecular docking methods were applied to investigate the interaction of copper(II) complexes with human serum albumin.

  本研究旨在在麦芽酚，糖精钠和3-羟基黄酮的存在下合成新的铜（II）配合物。通过FT-IR，CHN分析和X射线晶体学对Cu（II）配合物的结构进行了表征。采用荧光光谱法和分子对接法研究了铜（II）配合物与人血清白蛋白的相互作用。筛选复合物对人乳腺癌细胞（MCF-7）的抗增殖活性的细胞毒性，并通过MTT测定法将顺铂用作比较标准。实验结果表明，配合物1-5对HSA的荧光猝灭是静态猝灭。此外，结果表明，配合物3 [[Cu（糖精）（bpca）（H 2O）]，与其他化合物和顺铂相比，具有更高的细胞毒性。
• Metal saccharinate complexes with N,N-bis(2-hydroxyethyl)ethylendiamine: Synthesis, structural, thermal decomposition and DFT studies
  作者：Ahmet Karadağ、Murat Aydin、Ayşin Zülfikaroğlu、Veysel T. Yilmaz

  DOI：10.1016/j.ica.2024.122041

  日期：2024.7

  complexes were analysed by single crystal X-ray diffraction. Both N-bishydeten and Sac displayed coordination versality. The N-bishydeten ligands were octahedrally coordinated as two tridentate anionic ligands (2HN-bishydeten) (N, N, O-) to the Co(III) and two tridentate neutral ligands (N, N, O) to the Cu(II). The anionic Sac ligand was also located outside the coordination sphere in these complexes. However

  合成了带有 N，N-双（2-羟乙基）乙二胺 （N-bishydeten） 的新型 Co（III）、Ni（II）、Cu（II） 和 Zn（II） 糖酸盐 （Sac） 配合物，即 [Co（2HN-bishydeten）2]（Sac）⋅2H2O、[Ni（Sac）2（N-bishydeten）]、[Cu（N-bishydeten）2]（Sac）2]（Sac）2 和 [Zn（Sac）2（N-bishydeten）]，并使用紫外-可见分光度、红外光谱和磁化率测量进行了表征。通过单晶 X 射线衍射分析复合物的晶体结构。N-bishydeten 和 Sac 均表现出配位多功能性。N-bishydeten 配体作为两个三齿阴离子配体 （2HN-bishydeten） （N， N， O-） 与 Co（III） 和两个三齿中性配体 （N， N， O） 与 Cu（II） 进行八面体配位。阴离子 Sac 配体也位于
• Synthesis and Characterization of New Mixed-Ligand<i>bis</i>(Hydrazine) and<i>bis</i>(Ethylenediamine) Complexes of Cobalt, Nickel and Copper Saccharinates
  作者：Hasan İçbudak、Veysel T. Yilmaz

  DOI：10.1080/00945719708003156

  日期：1997.11

  The mixed-ligand saccharin complexes of Co, Ni and Cu with hydrazine and ethylenediamine have been prepared and characterized by elemental analyses, magnetic susceptibility and spectral methods. Hydrazine and ethylenediamine act as bidentate ligands through their N atoms, as expected. The metal ions usually have octahedral geometry with two hydrazine or ethylenediamine molecules and two saccharinate anions in the trans positions. The Cu(II) saccharinate with hydrazine has a bimetallic dimeric structure with Cu-Cu bonds. The Co(III) saccharinate complex with ethylenediamine is also dinuclear, but its dimeric structure is achieved with hydroxo bridges.