[Zr(Me2Si(η5-C5Me4)(η5-C5H3(CMe2CH2CH2CH=CMe2)))Cl2 | 1188532-65-1

• 英文名称: [Zr(Me2Si(η5-C5Me4)(η5-C5H3(CMe2CH2CH2CH=CMe2)))Cl2
• CAS: 1188532-65-1
• 化学式: C₂₅H₃₈Cl₂SiZr
• 分子量: 528.792
• InChiKey: JDJOKRZPJNZITO-UHFFFAOYSA-L

反应信息

• 作为产物：
  描述：

  、 氯化锆(IV) 以 四氢呋喃 为溶剂， 以56%的产率得到[Zr(Me2Si(η5-C5Me4)(η5-C5H3(CMe2CH2CH2CH=CMe2)))Cl2
  参考文献：
  名称：

  A novel alkenyl-substituted ansa-zirconocene complex with dual application as olefin polymerization catalyst and anticancer drug

  摘要：

  The alkenyl substituted fulvene compound, (C(5)H(4))=CMe(CH(2)CH(2)CH=CMe(2)) (1), reacts with one equivalent of LiMe to give the lithium derivative Li{C(5)H(4)(CMe(2)CH(2)CH(2)CH=CMe(2))} (2). The reaction of 2 with Me(2)Si(C(5)Me(4)H)Cl gave the ansa-ligand precursor Me(2)Si(C(5)Me(4)H)(C(5)H(4)(CMe(2)CH(2)CH(2)CH=CMe(2))) (3), which after the subsequent reaction with 2 equivalents of LiBun yielded the dilithium salt Li(2){Me(2)Si(C(5)Me(4))(C(5)H(3)(CMe(2)CH(2)CH(2)CH=CMe(2)))} (4). The alkenyl-substituted zirconocene complex [Zr{Me(2)Si(g(5)-C(5)Me(4))(g5-C(5)H(3)(CMe(2)CH(2)CH(2)CH@ CMe2))}Cl(2)] (5) was synthesized by the equimolar reaction of 4 and ZrCl4. 5 was characterized by spectroscopic methods and by single crystal X-ray diffraction studies. The zirconocene compound 5 has been tested as a catalyst in the polymerization of ethylene at different temperatures and Al: Zr ratios, and also in the co-polymerization of ethylene and 1-octene, observing modest co-monomer incorporations. In addition, the cytotoxic activity of 5 was tested against tumour cell lines 8505C anaplastic thyroid cancer, A253 head and neck tumour, A549 lung carcinoma, A2780 ovarian cancer and DLD-1 colon carcinoma. Complex 5 showed the best cytotoxic activity on A2780 ovarian cancer (IC(50) value of 36.8 +/- 5.9 mu M). This represents the highest reported cytotoxic activity of a zirconocene complex on A2780 ovarian cancer. In addition, the cytotoxic activities of 5, have been compared with those obtained using cisplatin. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.05.013