(η5-cyclopentadienyl)(SC6H2(i-Pr)3-2,4,6)titanium dichloride | 497944-01-1

• 英文名称: (η5-cyclopentadienyl)(SC6H2(i-Pr)3-2,4,6)titanium dichloride
• 英文别名: [CpTi(2,4,6-triisopropylbenzenethiolate)Cl2]；[CpTi(SC6H2Pr(i)3-2,4,6)Cl2]
• CAS: 497944-01-1
• 化学式: C₂₀H₂₈Cl₂STi
• 分子量: 419.294
• InChiKey: FSQLJBKGOUAHIX-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  (η5-cyclopentadienyl)(SC6H2(i-Pr)3-2,4,6)titanium dichloride 在 trimethylaluminum 作用下， 以 甲苯 为溶剂， 以57%的产率得到[(η5-cyclopentadienyl)TiCl(μ-SC6H2(i-Pr)3-2,4,6)]2
  参考文献：
  名称：

  Synthesis, Characterization, and Reduction Chemistry of Mixed-Cyclopentadienyl/Arylsulfide Titanium Dichlorides

  摘要：

  A series of titanium derivatives [CpTi(SAr)Cl-2] containing both cyclopentadienyl and various substituted arylsulfide ligands (SAr = SC6H4Me-4 (1), SC6H2Me3-2,4,6 (2), SC6H2-Pr-3(i)-2,4,6 (3), SC6H2Ph3-2A6 (4)) has been synthesized from the reaction of [CpTiCl3] with 1 equiv of the lithium salt of the corresponding arylsulfides in benzene. X-ray diffraction studies show that each metal center possesses a pseudo-tetrahedral geometry. The compounds undergo one-electron reduction to produce sulfur-bridged dimers of the type [CpTiCl(mu-SAr)](2) (SAr = SC6H2Me3-2,4,6 (5), SC6H2Pr3i-2,4,6 (6)). The solid-state structures of these dimers show that the cyclopentadienyl rings are arranged in a transoid fashion about the [Ti(mu-SAr)(2)Ti] core. The Ti-Ti distances, 3.242(1) and 3.225(1) Angstrom, respectively, are similar to those found in previously reported Cp/aryloxide dimers with terminal aryloxides and bridging chlorides.

  DOI：

  10.1021/om020847z
• 作为产物：
  描述：

  三氯一茂钛 、 2,4,6-Triisopropylthiophenol 在 n-butyl lithium 作用下， 以 正己烷 、 苯 为溶剂， 以81%的产率得到(η5-cyclopentadienyl)(SC6H2(i-Pr)3-2,4,6)titanium dichloride
  参考文献：
  名称：

  Synthesis, Characterization, and Reduction Chemistry of Mixed-Cyclopentadienyl/Arylsulfide Titanium Dichlorides

  摘要：

  A series of titanium derivatives [CpTi(SAr)Cl-2] containing both cyclopentadienyl and various substituted arylsulfide ligands (SAr = SC6H4Me-4 (1), SC6H2Me3-2,4,6 (2), SC6H2-Pr-3(i)-2,4,6 (3), SC6H2Ph3-2A6 (4)) has been synthesized from the reaction of [CpTiCl3] with 1 equiv of the lithium salt of the corresponding arylsulfides in benzene. X-ray diffraction studies show that each metal center possesses a pseudo-tetrahedral geometry. The compounds undergo one-electron reduction to produce sulfur-bridged dimers of the type [CpTiCl(mu-SAr)](2) (SAr = SC6H2Me3-2,4,6 (5), SC6H2Pr3i-2,4,6 (6)). The solid-state structures of these dimers show that the cyclopentadienyl rings are arranged in a transoid fashion about the [Ti(mu-SAr)(2)Ti] core. The Ti-Ti distances, 3.242(1) and 3.225(1) Angstrom, respectively, are similar to those found in previously reported Cp/aryloxide dimers with terminal aryloxides and bridging chlorides.

  DOI：

  10.1021/om020847z