[N(9),N(9')-trimethylene-bisadenine(+2H)][ZnCl4]*H2O | 255873-78-0

• 英文名称: [N(9),N(9')-trimethylene-bisadenine(+2H)][ZnCl4]*H2O
• CAS: 255873-78-0
• 化学式: C₁₃H₁₆N₁₀*Cl₄Zn*H₂O
• 分子量: 537.554
• InChiKey: KIHOWDMTKFQKKM-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 、 N(9),N(9')-trimethylene-bisadenine 、 zinc(II) chloride 以 further solvent(s) 为溶剂， 生成 [N(9),N(9')-trimethylene-bisadenine(+2H)][ZnCl4]*H2O
  参考文献：
  名称：

  Structures of tetrachlorometalates [Zn(II) and Hg(II)] of trimethylene-bisadeninium

  摘要：

  The X-ray structure of outer sphere complexes [(H-Ade)(2)(CH2)(3)]ZnCl4-H2O 1 and [(H-Ade)(2)(CH2)(3)]HgCl4. H2O 2 are reported (Ade = adenine). The conformation of the bis-adeninium dication depends on the characteristics of the anion partner. Thus, while in 1, an eclipsed and parallel (based on the direction of the two bis-adeninium moieties) conformation is present; 2 posses a gauche and antiparallel disposition. Although 1 and 2 present identical pattern of hydrogen bonds between the ligand and the tetrachlorometalate(II) anion, stacking interactions between purine rings are observed only in 1. Chelated hydrogen bonds (cis-MCl2... HN+) are not detected. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00221-1

文献信息

• N9,N9′-polymethylene-bisadenine complexes with d10 metal ions
  作者：Angel García-Raso、Juan J. Fiol、Andrés Tasada、Francisca M. Albertí、Ferran Bádenas、Xavier Solans、Mercè Font-Bardia

  DOI：10.1016/j.poly.2006.09.074

  日期：2007.3

  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.