bis-[di-(p-methoxyphenyl)methylcyclopentadienyl] titanium(IV) dichloride | 905280-36-6

• 英文名称: bis-[di-(p-methoxyphenyl)methylcyclopentadienyl] titanium(IV) dichloride
• 英文别名: bis[bis(p-methoxyphenyl)methylcyclopentadienyl]titanium(IV) dichloride；(η(5)-C5H4-CH-[C6H4-OCH3]2)2TiCl2
• CAS: 905280-36-6
• 化学式: C₄₀H₃₈Cl₂O₄Ti
• 分子量: 701.525
• InChiKey: NPGYRSGHAHTZOI-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  bis-[di-(p-methoxyphenyl)methylcyclopentadienyl] titanium(IV) dichloride 、 三甲基氟锡烷 以 甲苯 为溶剂， 以79%的产率得到bis[bis(p-methoxyphenyl)methylcyclopentadienyl]titanium(IV) difluoride
  参考文献：
  名称：

  Titanocene Difluorides with Improved Cytotoxic Activity

  摘要：

  Titanocene difluorides can be obtained by halide metathesis of the respective titanocene dichlorides with trimethyltin fluoride (Me3SnF), giving access to a new class of cytotoxic active substances. Furthermore, an improved method for the synthesis of diaryl-substituted titanocene dichlorides is presented.

  DOI：

  10.1021/ic9022163
• 作为产物：
  描述：

  tetrachlorobis(tetrahydrofuran)titanium(IV) 、 以 四氢呋喃 为溶剂， 以76%的产率得到bis-[di-(p-methoxyphenyl)methylcyclopentadienyl] titanium(IV) dichloride
  参考文献：
  名称：

  Titanocene Difluorides with Improved Cytotoxic Activity

  摘要：

  Titanocene difluorides can be obtained by halide metathesis of the respective titanocene dichlorides with trimethyltin fluoride (Me3SnF), giving access to a new class of cytotoxic active substances. Furthermore, an improved method for the synthesis of diaryl-substituted titanocene dichlorides is presented.

  DOI：

  10.1021/ic9022163

文献信息

• Diarylmethyl substituted titanocenes: Promising anti-cancer drugs
  作者：Clara Pampillón、Oscar Mendoza、Nigel J. Sweeney、Katja Strohfeldt、Matthias Tacke

  DOI：10.1016/j.poly.2006.01.007

  日期：2006.7

  From the reaction of tert-butyl lithium with p-bromo-N,N-dimethylaniline (1a), p-bromoanisole (1b) or 1-bromo-3,5-dimethoxybenzene (1c), p-N,N-dimethylanityl lithium (2a), p-anisyl lithium (2b) or (3,5-dimethoxyphenyl) lithium (2c), respectively, were obtained. When reacted with 6-(p-N,N-dimethylanilinyl)fulvene (3a), 6-(p-methoxyphenyl)fulvene (3b) or 3,5-(dimethoxyphenyl)fulvene (3c), the corresponding lithiated intermediates were formed (4a-c). Titanium tetrachloride was added "in situ", obtaining titanocenes 5a-C, respectively. When these titanocenes were tested against pig kidney carcinoma (LLC-PK) cells, inhibitory concentrations (IC50) Of 3.8 x 10(-5) M, 4.5 x 10(-5) M, and 7.8 x 10(-5) M, respectively, were observed. These values represent improved cytotoxicity against LLC-PK, compared to their ansa-analogues. (c) 2006 Elsevier Ltd. All rights reserved.