trans-tetrachlorobis(4-methylpyridine)titanium | 85456-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trans-tetrachlorobis(4-methylpyridine)titanium
• 英文别名: 4-methylpyridine;titanium(4+);tetrachloride
• CAS: 85456-27-5
• 化学式: C₁₂H₁₄Cl₄N₂Ti
• 分子量: 375.949
• InChiKey: JVOCZODQSJLGPM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -9.21
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 、 四氯化钛 以 氯仿 为溶剂， 生成 trans-tetrachlorobis(4-methylpyridine)titanium
  参考文献：
  名称：

  Addition compounds of titanium tetrachloride with aromatic nitrogen bases

  摘要：

  Three reaction products of an addition reaction of titanium tetrachloride with aromatic nitrogen bases are presented. trans-Tetrachlorobis (3,4-dimethylpyridine) titanium, [TiCl4(C7H9N)(2)], (I), and trans-tetrachlorobis(4-methylpyridine)titanium, [TiCl4(C6H7N)(2)], (II), are both neutral complexes in which the central Ti atom is bonded to four Cl and two N atoms of two 3,4-dimethylpyridine and 4-methylpyridine ligands, respectively, resulting in a slightly distorted octahedral environment around the Ti atom. The methylpyridine ligands occupy axial positions, with the four chloro ligands in the equatorial plane. The ionic structure of bis(1-methylimidazolium) hexachlorotitanate(IV) pentachloro(N-methylimidazole-N-3)titanate(IV), (C4H7N2)(2)[TiCl5(C4H6N2)][TiCl6](0.5), (III), consists of a pentachloro(N-methylimidazole-N-3)titanate anion and half a [TiCl6](2-) complex anion, in both of which the Ti atom appears in a nearly perfect octahedral coordination sphere with two N-methylimidazolium cations as counter-ions.

  DOI：

  10.1107/s0108270199000554

文献信息

• Srivastava; Kumar, Journal of the Indian Chemical Society, 1983, vol. 60, # 1, p. 14 - 18
  作者：Srivastava、Kumar

  DOI：——

  日期：——