[Cu(II)(4-methylethylesther-2,9-dioxo-1,4,7,10-tetraazabicyclo[1.10.1]hexadeca-1(11,13,15-triene-4,7-diacetic acid)Cl] | 848985-47-7

• 英文名称: [Cu(II)(4-methylethylesther-2,9-dioxo-1,4,7,10-tetraazabicyclo[1.10.1]hexadeca-1(11,13,15-triene-4,7-diacetic acid)Cl]
• CAS: 848985-47-7
• 化学式: C₁₈H₂₃ClCuN₄O₆*H₂O
• 分子量: 508.418
• InChiKey: WENWPUMNTIPJSZ-UHFFFAOYSA-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：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 乙醇 、 2,2′-(2,9-dioxo-1,2,3,5,6,8,9,10-octahydrobenzo-[b][1,4,7,10]tetra-azacyclododecine-4,7-diyl)diacetic acid 以 乙醇 为溶剂， 生成 [Cu(II)(4-methylethylesther-2,9-dioxo-1,4,7,10-tetraazabicyclo[1.10.1]hexadeca-1(11,13,15-triene-4,7-diacetic acid)Cl]
  参考文献：
  名称：

  A N,N′-diacetate benzodioxotetraazamacrocycle and its transition metal complexes

  摘要：

  Reaction of 2,9-dioxo-1,4,7,10-tetraazabicyclo[1.10.1]hexadeca-1(11), 13,15-triene-4,7-diacetic acid (H(2)L1) with CuCl2 . 2H(2)O in ethanol at pH 6 led to the monomeric benzodioxochlorocomplex [Cu(L'1)Cl] (1) (HL'1 = monoethylesther of H2LI). X-ray structural analysis has shown that in complex 1 the Cu is five-coordinated by two nitrogen and two oxygen atoms of the macrocycle and by a chloride, displaying a square pyramidal coordination geometry. One of the acetate arms does not coordinate to the Cu and has suffered an in situ ethanolic esterification reaction. The protonation constants of H2L1 and the stability constants of its complexes with Cu2+, Ni2+, Zn2+, Cd2+ and Pb2+ were determined by potentiometric methods and in some cases by H-1 NMR spectroscopy. The stability constants of the complexes follow the trend [Ni(H(-1)L1)](-) > [Cu(H(-1)L1)](-) much greater than [Pb(H(-1)Ll)](-) > [Zn(H(-1)L1)](-) > [Cd(H(-1)L1)](-), probably due to steric requirements. Spectroscopic measurements (absorption and EPR) at different pH values have shown the effect of the pH on the coordination sphere of the Cu complexes. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.12.008