| 947382-23-2

• CAS: 947382-23-2
• 化学式: C₃₁H₃₀F₆O₃Ti
• 分子量: 612.448
• InChiKey: YYKMZBAKYOREOE-UHFFFAOYSA-N

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：

  pentamethylcyclopentadienyltrimethoxytitanium 、 2,5-二氟苄醇 以 二氯甲烷 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Facile synthesis and X-ray structures of (η5-C5Me5)Ti(OArF)3 (OArF=OC6F5, OCH2C6F5, and OCH2C6F2H3)

  摘要：

  New half-sandwich titanocene complexes (eta(5)-C5Me5)Ti(OC6F5)(3) (1), (eta(5)-C5Me5)Ti(OCH2C6F5)(3) (2), and (eta(5)-C5Me5)Ti(OCH2C6F2H3)(3) (3) were synthesized via the displacement of methoxide ligands in (eta(5)-C5Me5)Ti(OMe)(3) by the corresponding aryloxy or benzyloxy ligands. These compounds have been fully characterized by various spectroscopic methods including X-ray crystallography. Compound 1 has a distorted three-legged piano stool structure. However, complexes 2 and 3 have the chariot-like structure, where chariot means a two-wheeled horse-drawn vehicle. The pi electron donation of oxygen atom to Ti center in complexes 1-3 is considerable. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.05.008