[Cu2(μ2-acetate)4(2-chloro-N6-furfuryl-9-isopropyladenine)2] | 1357974-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [Cu2(μ2-acetate)4(2-chloro-N6-furfuryl-9-isopropyladenine)2]
• CAS: 1357974-91-4
• 化学式: C₃₄H₄₀Cl₂Cu₂N₁₀O₁₀
• 分子量: 946.751
• InChiKey: HTFOHUUWSGUWOE-UHFFFAOYSA-J

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：
  None
• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [Cu2(OAc)4(H2O)2] 、 2-chloro-6-furfurylamino-9-isopropylpurine 以 甲醇 、 氨 、 水 为溶剂， 以69%的产率得到[Cu2(μ2-acetate)4(2-chloro-N6-furfuryl-9-isopropyladenine)2]
  参考文献：
  名称：

  Structurally varied Cu(II) complexes involving kinetin and its derivatives: Synthesis, characterization and evaluation of SOD-mimic activity

  摘要：

  Three new structural types of Cu(II) complexes of kinetin and its purine- and/or furan-substituted derivatives (HLn), involving acetato-bridges (Ac) or mixed N-donor ligands, are reported. Complexes of the compositions [Cu-2(mu(3)-L-1)(2)(mu(2)-Ac)(2)](n) (1). [Cu-2(mu(3)-L-2)(2)(mu(2)-Ac)(2)](n) (2), [Cu-2(mu(3)-L-3)(2)(mu(2)-AC)(2)](n) (3), [Cu-2(mu(2)-AC)(4)(HL5)(2)] (4), [Cu-2(mu(2)-Ac)(4)(HL6)(2)] (5), [Cu(H2O)(2)(L-3)(2)(Phen)] (6) and [Cu(H2O)(2)(L-4)(2)(Phen)]center dot 2H(2)O (7), with kinetin (N6-furfuryladenine, HL1) and its derivatives N6-(5-methylfurfuryl)adenine (HL2), 2-chloro-N6-furfuryladenine (HL3), 2-chloro-N6-(5-methylfurfuryl)adenine (HL4), 2-chloro-N6-furfury19-isopropyladenine (HL5) and 2-chloro-N6-(5-methylfurfuryl)-9-isopropyladenine (HL6) (phen = 1, 10-phenanthroline), have been fully characterized by elemental analyses, FTIR, electronic spectroscopy, conductivity, temperature dependent magnetic susceptibility measurements, thermogravimetric (TG) and differential thermal (DTA) analyses. The geometry around the Cu(II) centers is square pyramidal in the two structural groups involving the acetato bridges (1-3, and 4,5) and octahedral in the mononuclear 6 and 7. This was confirmed by single crystal X-ray analysis for the dimeric complexes 4 and 5, with each Cu(II) atom five-coordinated by four 0 atoms from the acetato bridges and one N7 atom from the adenine moiety of HLn. The length of the Cu center dot center dot center dot Cu separation present in the dimers 4 and 5 is equal to 2.6508(6) and 2.6523(4) A, respectively. The anti-radical activity of the presented complexes was evaluated by an in vitro SOD-mimic assay and the best results were found for 4 with IC50 equal to 57.41,mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.12.016