[1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride | 727665-66-9

• 英文名称: [1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride
• CAS: 727665-66-9；727665-52-3
• 化学式: C₃₄H₄₀Cl₂Ti
• 分子量: 567.478
• InChiKey: NFYDIYDAWLMUHZ-QYOAPMAOSA-L

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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride 、 potassium thioacyanate 以 丙酮 为溶剂， 以79%的产率得到[1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dithiocyanate
  参考文献：
  名称：

  Novel titanocene anti-cancer drugs derived from fulvenes and titanium dichloride

  摘要：

  Starting from 6-(p-N,N-dimethylanilinyl)fulvene (1a) or 6-(pentamethylphenyl)fulvene (1b) [1,2-di(cyclopentadienyl)-1,2di(p-N,N-dimethylaminophenyl)ethanediyl] titanium dichloride (2a) and [1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride (2b) and their corresponding dithiocyanato complexes (3a, 3b) were synthesized. Titanocene 2b did not show a cytotoxic effect, but when 2a was tested against pig kidney carcinoma cells (LLC-PK) or human ovarian carcinoma cells (A2780/cp70) inhibitory concentrations (IC50) of 2.7 x 10(-4) and 1.9 x 10(-4) M, respectively, were observed. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.04.015
• 作为产物：
  描述：

  四氯化钛 、 6-(pentamethylphenyl)fulvene 在 n-butyllithium 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 以10%的产率得到[1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride
  参考文献：
  名称：

  Novel titanocene anti-cancer drugs derived from fulvenes and titanium dichloride

  摘要：

  Starting from 6-(p-N,N-dimethylanilinyl)fulvene (1a) or 6-(pentamethylphenyl)fulvene (1b) [1,2-di(cyclopentadienyl)-1,2di(p-N,N-dimethylaminophenyl)ethanediyl] titanium dichloride (2a) and [1,2-di(cyclopentadienyl)-1,2-bis(pentamethylphenyl)ethanediyl] titanium dichloride (2b) and their corresponding dithiocyanato complexes (3a, 3b) were synthesized. Titanocene 2b did not show a cytotoxic effect, but when 2a was tested against pig kidney carcinoma cells (LLC-PK) or human ovarian carcinoma cells (A2780/cp70) inhibitory concentrations (IC50) of 2.7 x 10(-4) and 1.9 x 10(-4) M, respectively, were observed. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.04.015