2,6-dimethylpyridinium aquapentafluorotitanate(IV) | 1277188-16-5

• 英文名称: 2,6-dimethylpyridinium aquapentafluorotitanate(IV)
• CAS: 1277188-16-5
• 化学式: C₇H₁₀N*F₅H₂OTi
• 分子量: 269.05
• InChiKey: OCTSPEPMDYLSSY-UHFFFAOYSA-J

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：

  2,6-二甲基吡啶 、 titanium(IV) isopropylate 、 氢氟酸 以 水 为溶剂， 以78%的产率得到2,6-dimethylpyridinium aquapentafluorotitanate(IV)
  参考文献：
  名称：

  Cation–anion interactions involving hydrogen bonds: Syntheses and crystal structures study of hexafluorotitanate(IV) salts with pyridine and methyl substituted pyridines

  摘要：

  Fluorotitanates (LH)(2)[TiF(6)]center dot nH(2)O (1:R = pyridine, n = 1, 2: R = 2-picoline, n = 2,3: R = 2,6-lutidine, n = 0, 4: R = 2,4,6-collidine, n = 0) and (LH)[TiF(5)(H(2)O)] (3a: L = 2,6-lutidine) have been synthesized by the reaction of pyridine or corresponding methyl substituted pyridines and titanium dioxide dissolved in hydrofluoric acid. The crystal structures of ionic compounds 1, 2, 3, 3a and 4 have been determined by single-crystal X-ray diffraction analysis. The hydrogen bonding led to the formation of discrete (LH)(2)[TiF(6)] units (4), chains (1-3), and layers (3a). The additional pi-pi interactions present in 1, 2, and 4 results in chain structures of 1 and 4 and in a layer structure of 2. The [TiF(6)](2-) and [TiF(5)(H(2)O)](-) anions were observed by (19)F NMR spectroscopy in aqueous solutions of 1, 2, 3, 3a and 4. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.11.018