| 133967-97-2

• CAS: 133967-97-2
• 化学式: C₂₄H₂₆Cl₂O₂Ti
• 分子量: 465.255
• InChiKey: SYZZCMSIERFZKW-MYYQLHIXSA-L

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){η6-(OCHPh)2C5Me4(CH2)}TiCl 、 四氯化钛 以 氯仿 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Reactivity of early-transition-metal fulvene complexes. Transformation of a 2,3,4,5-tetramethylfulvene ligand into a bidentate dialkoxide with four asymmetric carbon atoms. Molecular structure of Ti[(OCHPh)2C5Me4(CH2)]Cl2

  摘要：

  Cp*FvTiCl (1; Cp* = eta-5-C5H5, Fv = eta-6-C5Me4CH2) reacts with benzaldehyde, yielding Cp*Ti[(OCHPh)2C5Me4(CH2)]Cl (2) as the result of insertion in two Ti-C bonds at the 2- and 4-positions of the fulvene ligand in 1. Complex 2 reacts with HCl to give Cp*TiCl3 (3) and the corresponding dialcohol and with TiCl4 to give 3 and Ti[(OCHPh)2C5Me4(CH2)]Cl2 (5). X-ray diffraction analysis of 5 shows it to be a dialkoxide-dichloride monomeric titanium complex with a tetrahedral arrangement of the ligands around the metal center. Crystal data for C24H26Cl2O2Ti: monoclinic, P2(1)/n, a = 10.602 (5) angstrom, b = 14.157 (4) angstrom, c = 15.274 (5) angstrom, beta = 103.76 (3)-degrees, V = 2227 (1) angstrom-3, Z = 4, R = 0.037.

  DOI：

  10.1021/om00051a069