cyclopenta-1,3-diene;1H-inden-1-ide;methanidylbenzene;titanium(4+) | 180571-86-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: cyclopenta-1,3-diene;1H-inden-1-ide;methanidylbenzene;titanium(4+)
• CAS: 180571-86-2
• 化学式: C₂₈H₂₆Ti
• 分子量: 410.394
• InChiKey: FSSTTXMNOZYAAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  (η5-cyclopentadienyl)(η5-indenyl)titanium(IV) dichloride 、 苄基溴化镁 以 乙醚 为溶剂， 以50%的产率得到cyclopenta-1,3-diene;1H-inden-1-ide;methanidylbenzene;titanium(4+)
  参考文献：
  名称：

  Synthesis and characterisation of (η⁵-cyclopentadienyl)(η⁵-ring)titanium alkyl (ring = indenyl or C₅H₄Bu^t) complexes. Crystal and molecular structure of racemic [Ti(η⁵-C₅H₅)(η⁵-C₉H₇)(CH₂SiMe₃)Cl]

  摘要：

  New, selective and high-yielding preparations of the mixed-ring complexes [Ti(eta(5)-C5H5)(eta(5)-C9H7)Cl-2] and [Ti(eta(5)-C5H5)(eta(5)-C(5)H(4)Bu(t))Cl-2] are reported. These have been used to prepare a range of mono- and disubstituted titanium(IV) alkyl and benzenethiolate complexes of the form [Ti(eta(5)-C5H5)(eta(5)-ring)(CH(2)SiMe(3))Cl] and [Ti(eta(5)-C5H5)(eta(5)-ring)R(2)] (ring = indenyl or C(5)H(4)Bu(t); R = Me, CH(2)Ph, CH(2)SiMe(3) or SPh). While the indenyl ligand in the racemic, chiral-at-metal complex [Ti(eta(5)-C5H5)(eta(5)-C9H7)(CH(2)SiMe(3))Cl] is bound in an eta(5) fashion, X-ray structural data clearly indicate that there is some 'eta(3) ring-slip' character to the bonding. The NMR and nuclear Overhauser effect experiments conducted on [Ti(eta(5)-C5H5)(eta(5)-C(5)H(4)Bu(t))(CH(2)SiMe(3))Cl] demonstrate hindered rotation around the Ti-C(5)H(4)Bu(t) bond and show the geometry to be fixed such that the Bu(t) and SiMe(3) groups are remote.

  DOI：

  10.1039/dt9960002843