[Cu(CH3OC6H3(O)CHNCH2CH2NH2)(pyridine)](perchlorate) | 1037741-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Cu(CH3OC6H3(O)CHNCH2CH2NH2)(pyridine)](perchlorate)
• CAS: 1037741-21-1
• 化学式: C₁₅H₁₈CuN₃O₂*ClO₄
• 分子量: 435.323
• InChiKey: NPUQXWMLOBLKLV-OKDQOLBWSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2-吡咯甲醛 、 [Cu(CH3OC6H3(O)CHNCH2CH2NH2)(pyridine)](perchlorate) 在 NaOH 作用下， 以 甲醇 为溶剂， 以55%的产率得到[Cu(CH3OC6H3(O)CHNCH2CH2NCHC4H3N)]
  参考文献：
  名称：

  Di- and Triheteronuclear Cu−Gd and Cu−Gd−Cu Complexes with Dissymmetric Double Bridge

  摘要：

  The study of the Cu-Gd interaction is simplified by the use of heteronuclear Cu-Gd complexes of low nuclearity, such as dinuclear Cu-Gd or trinuclear Cu-Gd-Cu complexes. In the large majority of cases published until now, this interaction presents the advantage of being ferromagnetic. Among the known examples, the complexes with the largest J values have been prepared with use of symmetric Schiff base compartmental ligands, so that the active cores of the molecules involve two phenoxo bridges between the copper and gadolinium ions. Keeping this remark in mind, we decided to synthesize simple complexes in which two different bridges link the copper and gadolinium ions. The structural determinations of a heterodinuclear Cu-Gd and a trinuclear Cu-Gd-Cu complex confirm the asymmetry of the central cores, involving phenoxo and hydroxo bridges. The magnetic studies evidence again the presence of ferromagnetic interactions. These results corroborate preponderance of the planarity of the Cu-O-2-Gd core over the dissymmetry of the bridges.

  DOI：

  10.1021/ic800599r
• 作为产物：
  描述：

  copper(II) perchlorate hexahydrate 、 邻香草醛 、 乙二胺 在 吡啶 作用下， 以 甲醇 、 水 为溶剂， 生成 [Cu(CH3OC6H3(O)CHNCH2CH2NH2)(pyridine)](perchlorate)
  参考文献：
  名称：

  具有 NN'O 型不对称席夫碱的新型混合配体 Cu(II) 复合物的细微结构变化：针对 SARS-Cov-2 及其 Omicron 变体主要蛋白酶的分子对接

  摘要：

  多种新型混合配体席夫碱配合物通式为 [Cu(SBn)(py)]ClO4 (n = 1–5) 和 [Cu(SBn)(BTZ)]ClO4 (n = 1a–5a)合成并表征。在这些配合物中，NN'O型不对称席夫碱配体（SBn）由1,2-乙二胺与水杨醛（1, 1a）、3-甲氧基水杨醛（2, 2a）、3,5等摩尔缩合形成。 -二溴水杨醛(3, 3a)、3-甲氧基-5-溴水杨醛(4, 4a)和6-甲氧基水杨醛(5, 5a)。通过 FT-IR 和 UV-Vis 光谱以及元素分析对配合物进行了表征。配合物3、2a、3a、4a和5a的晶体结构也通过单晶X射线衍射(SCXRD)获得。对 SARS-Cov-2 Mpro (PDB ID: 6LU7) 和 SARS-CoV-2 Omicron Variant 蛋白酶 (PDB ID: 7TLL) 进行了分子对接研究。根据估计的自由结合能 (EFBE)，复合物 (3a)

  DOI：

  10.1016/j.inoche.2023.111795

文献信息

• Anion directed templated synthesis of mono- and di-condensed Schiff base compounds of Cu(II)
  作者：Prasanta Bhowmik、Subrata Jana、Shouvik Chattopadhyay

  DOI：10.1016/j.poly.2012.05.035

  日期：2012.8

  A mono-condensed Schiff base ligand has been prepared as the Cu(II) compound, [Cu-2(L-1)(2)(N-3)(2)]center dot 2H(2)O (1) (HL1 = 1-(N-3-methoxysalicylaldimine)-2-aminoethane), by the reaction of 1,2-diaminoethane, Cu(II) perchlorate and 3-methoxysalicyaldehyde in a 1:1:1 ratio in methanol, followed by the reaction with a large excess of NaN3. In absence of NaN3, a di-condensed compartmental ligand has been trapped as its Cu(II) compound [Cu-2(L-2)(2)subset of(H3NC2H4NH3)][CuL2)(2)subset of(H3NC2H4NH3)](ClO4)(4) (2) (H2L2 = N,N'-ethylene-bis(3-methoxysalicylaldimine). Both compounds were characterized by elemental analyses, spectral and electrochemical studies and single crystal X-ray diffraction. In compound 2, Cu(II) has a square planar coordination geometry, while in 1, Cu(II) exhibits a distorted square pyramidal geometry (Addison parameter (tau) = 0.116). [CuL1(py)](ClO4) (3) is produced by following the preparation method of compound 1, but replacing NaN3 with pyridine. Formation of the compounds has been explained by an anion directed template effect. (c) 2012 Elsevier Ltd. All rights reserved.