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[2-(η5-Me3C5H)-4,6-F2C6H2N=C(O)-t-Bu-κO]TiCl2 | 914385-24-3

中文名称
——
中文别名
——
英文名称
[2-(η5-Me3C5H)-4,6-F2C6H2N=C(O)-t-Bu-κO]TiCl2
英文别名
(4,6-difluoro)phenylene(t-butyliminooxy)(2,3,5-trimethylcyclopentadienyl)-titanium dichloride
[2-(η5-Me3C5H)-4,6-F2C6H2N=C(O)-t-Bu-κO]TiCl2化学式
CAS
914385-24-3
化学式
C19H21Cl2F2NOTi
mdl
——
分子量
436.165
InChiKey
LCJLAVYPVPZBNX-UHFFFAOYSA-K
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    参考文献:
    名称:
    Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization
    摘要:
    o-Phenylene-bridged or substituted o-phenylene-bridged di- or trimethylcyclopentadienyl/carboxamide ligands 2-(RMe2C5H2)-4,6-R ' 2C6H2NHC(O)Bu-t (R = Me or H; R ') Me, H, or F) are prepared. When R ' is methyl or H, unbridged trichlorotitanium complexes containing a chloroimine unit as a pendant group, 2-[(eta(5)-RMe2C5H)TiCl3]-4,6-R ' 2C6H2N=C(Cl)Bu-t (7, R = H, R ' = H; 8, R = Me, R ' = H; 9, R = H, R ') Me; 10, R) Me, R ') Me), are unexpectedly afforded through the successive addition of Ti(NMe2)(4) and SiCl4 to the ligands. The same treatment to the ligands where R ' = F affords oxygen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)-4,6-F2C6H2N=C(O)Bu-t-kappa O]TiCl2 (11, R = H; 12, R = Me). The desired nitrogen-coordinated bridged complexes [2-(eta(5)-RMe2C5H)C6H4NC(O)Bu-t-kappa N-2,O]TiMe2 (13, R) H; 14, R = Me) are obtained by reacting the corresponding dilithium compound with Me2TiCl2. The binding modes of 7, 8, 9, 11, and 14 are confirmed by X-ray crystallography. Trichlorotitanium complex 8 shows high activity in ethylene/1-octene copolymerization (activity, 100 x 10(6) g/molTi center dot h at 13 bar ethylene). Trimethylcyclopentadienyl complexes show higher activity than the dimethylcyclopentadienyl analogues, and the activities of 12 and 14 reach similar to 65 x 10(6)g/molTi(.)h. Complex 12 is excellent in incorporating 1-octene.
    DOI:
    10.1021/om060604x
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