[CuI(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)][ClO4] | 1190114-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [CuI(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)][ClO4]
• CAS: 1190114-87-4
• 化学式: C₁₄H₂₃CuIN₃S₂*ClO₄
• 分子量: 587.39
• InChiKey: NLGSRQXGKZIESO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [Cu(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)(MeCN)](ClO₄)₂ 、 potassium iodide 以 乙腈 为溶剂， 以67%的产率得到[CuI(4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane)][ClO4]
  参考文献：
  名称：

  Synthesis, characterisation of a complex of Cu(II) with a multidentate macrocyclic ligand and its interactions with anions

  摘要：

  A macrocyclic ligand possessing a donor set of {N3S2} synthesised via Cs+-templation, 4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane (L) and its Cu(II) complex, [CuL(NCMe)](2+) (6), are described. This Cu(II) complex interacts with a range of anions, F-, Cl-, Br-, I-, HCOO-, AcO-, CO32-, NO3-, C2O42-, H2PO4- , SCN-, CN-, BF4-. Of the investigated anions, I-, SCN-, and CN-, show strong interaction with the Cu(II) centre as indicated by their spectral variations. The iodide particularly demonstrates distinct change in colour. This change originates from a newly appeared band at 471 nm upon iodide binding, which arises from the ligand (I-) to Cu(II) charge transfer (LMCT) in the iodide-substituted Cu(II) complex, [CuLI](+) (7). All organic compounds are characterised by NMR spectroscopy and/or microanalysis. The identities of the two Cu(II) complexes are confirmed by using microanalysis and the complex 6 is crystallographically analysed. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.032