tetrachloro(triethyl methanetricarboxylate-O,O')titanium(IV) | 186505-59-9

• 英文名称: tetrachloro(triethyl methanetricarboxylate-O,O')titanium(IV)
• CAS: 186505-59-9
• 化学式: C₁₀H₁₆Cl₄O₆Ti
• 分子量: 421.925
• InChiKey: DQTUTMWKPRKRFT-UHFFFAOYSA-J

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：

  甲烷三羧酸三乙酯 、 四氯化钛 以 二氯甲烷 为溶剂， 以91.2%的产率得到tetrachloro(triethyl methanetricarboxylate-O,O')titanium(IV)
  参考文献：
  名称：

  The crystal structure and properties of [TiCl4{CH(CO2Et)3}] and [Al2Cl6{μ-C2H4(CO2Et)2}]

  摘要：

  The reactions of TiCl4 with CH(CO(2)Et)(3) and AlCl3 with C2H4(CO(2)Et)(2) in CH2Cl2 gave [TiCl4{CH(CO(2)Et)(3)}] (1) and [Al2Cl6{mu-C2H4(CO(2)Et)(2)}] (2) respectively. The crystal structures of 1 and 2 have been determined by a single crystal X-ray diffraction studies and refined by full-matrix least squares techniques to R(1) = 0.0272 and 0.0282 (for 2654 and 1274 unique non-zero reflections) for 1 and 2 respectively. The crystals of 1 belong to the space group C2/c with Z = 8 and a = 17.131(8), b = 10.715(3), c = 18.512(5)Angstrom and beta = 92.97(3)degrees. The titanium atom in 1 is octahedrally coordinated by four terminal chlorine atoms and two oxygen atoms in cis position from the coordinated triester molecule. Crystals of 2 are monoclinic, space group P2(1)/c, Z = 4, a = 14.109(2), b = 10.049(2), c = 15.644(3)Angstrom and beta = 116.65(2)degrees. In the molecular dimeric compound, each aluminium atom is tetrahedrally coordinated by three terminal chlorine atoms and one oxygen atom from the bridging diethyl succinate molecule.

  DOI：

  10.1016/s0022-328x(96)06572-2