| 171516-03-3

• CAS: 171516-03-3
• 化学式: C₁₄H₁₀F₁₀O₄Ti₂
• 分子量: 527.975
• InChiKey: OQNPCJWBMXGVNP-UHFFFAOYSA-H

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：

  (η5-C5H5)TiF3 、 三氟乙酸三甲基硅酯 以 甲苯 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Carboxylates of Organotitanium Fluorides: Preparation of Cp- and Cp*- Titanium fluoro Trifluoroacetates and Pentafluorobenzoates

  摘要：

  The reactions of Cp*TiF3 and CpTiF(3) with Me(3)SiOCOCF(3) and Me(3)SiOCOC(6)F(5), respectively lead under elimination of Me(3)SiF in good yields to the dimers (Cp*TiF2OCOCF3)(2) (1), (Cp*TiF2OCOC6F5)(2) (2), (CpTiF(2)OCOCF(3))(2) (3), and (Cp*TiF(OCOCF3)(2))(2) (4). The structures of 1 and 2 have been determined by X-ray crystallography; both compounds crystallize in the triclinic space group P (1) over bar. These are the first examples of dimeric Cp- and Cp*-titanium carboxylates. The Ti atoms are bridged by two carboxylate groups and two F atoms which have nonequal distances to the Ti atoms. The dimeric structures exist also in solution. 1 and 2 show in the F-19 NMR the signals of magnetically nonequivalent bridging and terminal F atoms.

  DOI：

  10.1021/ic00127a006