[zinc(II)(2-chloro-N6-(5-methylfurfuryl)adenine)2dichloride] | 1239372-48-5

• 英文名称: [zinc(II)(2-chloro-N6-(5-methylfurfuryl)adenine)2dichloride]
• CAS: 1239372-48-5
• 化学式: C₂₂H₂₀Cl₄N₁₀O₂Zn
• 分子量: 663.669
• InChiKey: JWYLAPNAIHNJBL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  zinc(II) chloride dihydrate 、 2-chloro-N6-(5-methylfurfuryl)adenine 以 甲醇 为溶剂， 以39%的产率得到[zinc(II)(2-chloro-N6-(5-methylfurfuryl)adenine)2dichloride]
  参考文献：
  名称：

  Synthesis and characterization of the first zinc(II) complexes involving kinetin and its derivatives: X-ray structures of 2-chloro-N6-furfuryl-9-isopropyladenine and [Zn(kinetin)2Cl2]·CH3OH

  摘要：

  A series of the first zinc(II) complexes of the general composition [Zn(L-n)(2)Cl-2]center dot xSolv (1-5) involving kinetin [N6-furfuryladenine, L-1, xSolv = CH3OH, complex 1] and its derivatives, i.e. N6-(5-methylfurfuryl)adenine (L-2, xSolv = 2H(2)O, 2), 2-chloro-N6-furfuryladenine (L-3, 3), 2-chloro-N6-(5-methylfurfuryl)adenine (L-4, 4) and 2-chloro-N6-furfuryl-9-isopropyladenine (L-5, 5), as N-donor ligands has been synthesized. The complexes have been fully characterized by elemental analyses (C, H, N), FTIR, Raman, H-1 and C-13 NMR spectroscopy, conductivity measurements, thermogravimetric (TG) and differential thermal (DTA) analyses. Single crystal X-ray analysis determined the molecular structures of 2-chloro-N6-furfuryl-9-isopropyladenine (L-5) and the complex [Zn(L-1)(2)Cl-2]center dot CH3OH. The Zn(II) ion is tetrahedrally coordinated by two chlorido ligands and two molecules of the L-1 organic compound. The two ligands L-1 are coordinated to the central Zn(II) ion via the N7 atoms. This conclusion can also be drawn from multinuclear NMR spectroscopic experiments. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.02.004