([N(9),N(9')-trimethylene-bisadenine(+H)][ZnCl3]) | 935446-17-6

• 英文名称: ([N(9),N(9')-trimethylene-bisadenine(+H)][ZnCl3])
• CAS: 935446-17-6
• 化学式: C₁₃H₁₅Cl₃N₁₀Zn
• 分子量: 483.078
• InChiKey: GIEQAZUEZVITCI-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：

  盐酸 、 zinc(II) chloride dihydrate 、 N(9),N(9')-trimethylene-bisadenine 以 盐酸 为溶剂， 以50%的产率得到([N(9),N(9')-trimethylene-bisadenine(+H)][ZnCl3])
  参考文献：
  名称：

  N9,N9′-polymethylene-bisadenine complexes with d10 metal ions

  摘要：

  The reaction of N-9,N-9'-(tri or tetramethylene)-bisadenines (Ade(2)C(x); x = 3 or 4) in HCl 2 M at 50 degrees C with MCl2 center dot 2H(2)O [M = Zn(II), Cd(II)] yields outer sphere compounds like the Previously described [(H-Ade)(2)C-3][ZnCl4] center dot H2O (3) and [(H-Ade)(2)C-3](2)[Cd2Cl8(H2O)(2)] center dot 4H(2)O (4) for Ade(2)C(3) and the new {[(H-Ade)(2)C-4][Cd2Cl6(H2O)(2)]center dot 2H(2)O}(n), (5) for Ade(2)C(4). On the other hand, only in case of Zn(II) complexes by changing [HCl] to 0.1 M, the inner sphere compounds [H-(Ade)(2)C-3(ZnCl3)] (6) and [H-(Ade)(2)C-4(ZnCl3)]center dot 1.5H(2)O (7) are obtained. X-ray diffraction study of compound 6, which represents the first inner sphere complex with a N-9,N-9'-bisadenine, shows a zwitterionic form with one adenine ring protonated at N(1) while the other ring is coordinated via N(7) to a ZnCl3 moiety as in other alkyl-adenine derivatives. In addition, with Ade(2)C(4), is also possible to obtain another inner sphere complex: [(H-Ade)(2)C-4(ZnCl3)(2)]center dot 3H(2)O (8). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.074