bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)titanium(III) hydride | 172610-38-7

• 英文名称: bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)titanium(III) hydride
• CAS: 172610-38-7
• 化学式: C₃₀H₃₅Ti
• 分子量: 443.488
• InChiKey: QMBPXZXGIWWKII-UHFFFAOYSA-N

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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)titanium(III) hydride 、 lead(II) chloride 生成 bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)Ti(H)(Cl)
  参考文献：
  名称：

  双（苯基四甲基环戊二烯基）钛（III）氢化物的合成与结构：第一个单体双（环戊二烯基）钛（III）氢化物

  摘要：

  The first structurally characterized monomeric bis(cyclopentadienyl)titanium(III) hydride, (C(5)PhMe(4))(2)TiH (4), was synthesized by hydrogenolysis of (C(5)PhMe(4))(2)TiMe (5). Hydride 4 was found to be a monomeric bent sandwich by X-ray diffraction methods, and the pentamethylcyclopentadienyl analogue (C(5)Me(5))(2)TiH (3) is concluded to possess a similar molecular structure by comparison between the spectroscopic and reactivity data for 3 and 4.

  DOI：

  10.1021/om00012a005
• 作为产物：
  描述：

  bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)Ti(Me) 、 氢气 以 正戊烷 为溶剂， 以83%的产率得到bis(1-phenyl-2,3,4,5-tetramethylcyclopentadienyl)titanium(III) hydride
  参考文献：
  名称：

  双（苯基四甲基环戊二烯基）钛（III）氢化物的合成与结构：第一个单体双（环戊二烯基）钛（III）氢化物

  摘要：

  The first structurally characterized monomeric bis(cyclopentadienyl)titanium(III) hydride, (C(5)PhMe(4))(2)TiH (4), was synthesized by hydrogenolysis of (C(5)PhMe(4))(2)TiMe (5). Hydride 4 was found to be a monomeric bent sandwich by X-ray diffraction methods, and the pentamethylcyclopentadienyl analogue (C(5)Me(5))(2)TiH (3) is concluded to possess a similar molecular structure by comparison between the spectroscopic and reactivity data for 3 and 4.

  DOI：

  10.1021/om00012a005