zinc(II)(2-chloro-6-furfurylamino-9-isopropyl)purinium)Cl3*(2-chloro-6-furfurylamino-9-purine) | 1264212-26-1

• 英文名称: zinc(II)(2-chloro-6-furfurylamino-9-isopropyl)purinium)Cl3*(2-chloro-6-furfurylamino-9-purine)
• CAS: 1264212-26-1
• 化学式: C₁₃H₁₄ClN₅O*C₁₃H₁₅Cl₄N₅OZn
• 分子量: 756.237
• InChiKey: DKLWYOHSBTYWAG-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 、 2-chloro-6-furfurylamino-9-isopropylpurine 以 甲醇 、 水 为溶剂， 以62%的产率得到zinc(II)(2-chloro-6-furfurylamino-9-isopropyl)purinium)Cl3*(2-chloro-6-furfurylamino-9-purine)
  参考文献：
  名称：

  Zinc(II) chlorido complexes of protonated kinetin and its derivatives: Synthesis, properties and X-ray structure of [Zn(Hkinetin)Cl3]·kinetin

  摘要：

  The syntheses and characterization of five novel zinc(II) complexes with protonated kinetin (6-furfurylaminopurine) and its derivatives are described. Based on the results following from elemental analyses (C, H, N), FTIR, Raman, H-1 and C-13 NMR spectroscopy, conductivity measurements, thermogravimetric (TG) and differential thermal analyses (DTA), and single crystal X-ray analysis, the complexes of the general composition [Zn(HLn)Cl-3]center dot xL(n) (1-5) have been prepared, where L-1 = kinetin (6-furfurylaminopurine), L-2 = 6-(5-methylfurfurylamino) purine, L-3 = 2-chloro-6-furfurylaminopurine, L-4 = 2-chloro-6-(5-methylfurfurylamino) purine and L-5 = 2-chloro-6-furfurylamino-9-isopropylpurine, and x = 1/2-2. The structure of [Zn(HL1)Cl-3]center dot L-1 (1) has been determined by single crystal X-ray analysis. The Zn(II) atom is tetrahedrally coordinated by three chlorido ligands and one N3-protonated organic molecule forming a ZnCl3N donor set. The organic ligand L-1 is coordinated to the Zn(II) centre through the N7 atom of the purine moiety. NMR spectroscopic study confirmed the N3 and N7 atom to be the protonation, and coordination site, respectively. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.08.040