dimethyl(3-(1-phenylethyl)cyclopenta-2,4-dien-1-yl)(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane | 1034044-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl(3-(1-phenylethyl)cyclopenta-2,4-dien-1-yl)(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 1034044-33-1
• 化学式: C₂₄H₃₂Si
• 分子量: 348.604
• InChiKey: RYVDPKNIRYUSRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.42
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  二甲基氯(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷 、 (1-phenylethyl)cyclopentadienyllithium 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 dimethyl(3-(1-phenylethyl)cyclopenta-2,4-dien-1-yl)(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
  参考文献：
  名称：

  Synthesis of Bulky Zirconocene Dichloride Compounds and Their Applications in Olefin Polymerization

  摘要：

  使用LiMe与6-苯基富烯，6-(1-萘基)富烯或6-(9-蒽基)富烯反应合成了体积庞大的取代环戊二烯基锂衍生物LiC5H4(CHMeR) (R = C6H5 (1), 1-萘基 (2), 9-蒽基 (3))。制备了ansa-双(环戊二烯)配体Me2Si(C5HMe4){C5H4(CHMeR)} (R = C6H5 (4), 1-萘基 (5), 9-蒽基 (6))及其锂衍生物Li2(Me2Si(C5Me4){C5H3(CHMeR)}) (R = C6H5 (7), 1-萘基 (8), 9-蒽基 (9))。通过锂衍生物1-3与[Zr(η5-C5H5)Cl3]或ZrCl4反应，合成了茂锆烷配合物[Zr(η5-C5H5){η5-C5H4- (CHMeR)}Cl2] (R = C6H5 (10), 1-萘基 (11), 9-蒽基 (12))和[Zr{η5-C5H4(CHMeR)}2Cl2] (R = C6H5 (13), 1-萘基 (14), 9-蒽基 (15))。锂ansa-衍生物7-9与四氯化锆反应，得到了ansa-茂锆烷配合物[Zr(Me2Si(η5-C5Me4){η5-C5H3(CHMeR)})Cl2] (R = C6H5 (16), 1-萘基 (17), 9-蒽基 (18))。将这些茂锆烷配合物用于乙烯和丙烯的聚合反应，使用ansa-茂锆烷催化剂16-18聚合丙烯，得到了70%的mmmm五元组和对称的茂锆烷催化剂13-15则得到了30-60%的mmmm五元组聚丙烯。

  DOI：

  10.1135/cccc20070747

文献信息

• Synthesis of Bulky Zirconocene Dichloride Compounds and Their Applications in Olefin Polymerization
  作者：Dorian Polo-Cerón、Santiago Gómez-Ruiz、Sanjiv Prashar、Mariano Fajardo、Antonio Antiñolo、Antonio Otero

  DOI：10.1135/cccc20070747

  日期：——

  The bulky substituted cyclopentadienyllithium derivatives, LiC₅H₄(CHMeR) (R = C₆H₅ (1), 1-naphthyl (2), 9-anthryl (3)), were synthesized from the reaction of 6-phenylfulvene, 6-(1-naphthyl)fulvene or 6-(9-anthryl)fulvene with LiMe. The ansa-bis(cyclopentadiene) ligands Me₂Si(C₅HMe₄)C₅H₄(CHMeR)} (R = C₆H₅ (4), 1-naphthyl (5), 9-anthryl (6)), and their lithium derivatives Li₂(Me₂Si(C₅Me₄)C₅H₃(CHMeR)}) (R = C₆H₅ (7), 1-naphthyl (8), 9-anthryl (9)) have been prepared. The zirconocene complexes, [Zr(η⁵-C₅H₅)η⁵-C₅H₄- (CHMeR)}Cl₂] (R = C₆H₅ (10), 1-naphthyl (11), 9-anthryl (12)) and [Zrη⁵-C₅H₄(CHMeR)}₂Cl₂] (R = C₆H₅ (13), 1-naphthyl (14), 9-anthryl (15)), were synthesized by the reaction of lithium derivatives 1-3 and [Zr(η⁵-C₅H₅)Cl₃] or ZrCl₄, respectively. The reaction of the lithium ansa-derivatives 7-9 and zirconium tetrachloride yielded the ansa-zirconocene complexes, [Zr(Me₂Si(η⁵-C₅Me₄)η⁵-C₅H₃(CHMeR)})Cl₂] (R = C₆H₅ (16), 1-naphthyl (17), 9-anthryl (18)). The zirconocene complexes have been tested in the polymerization of ethene and propene. The polymerization of propene with the ansa-zirconocene catalysts 16-18 gave polypropylene with 70% mmmm pentads and the symmetric zirconocene catalysts 13-15 30-60% mmmm pentads.

  使用LiMe与6-苯基富烯，6-(1-萘基)富烯或6-(9-蒽基)富烯反应合成了体积庞大的取代环戊二烯基锂衍生物LiC5H4(CHMeR) (R = C6H5 (1), 1-萘基 (2), 9-蒽基 (3))。制备了ansa-双(环戊二烯)配体Me2Si(C5HMe4)C5H4(CHMeR)} (R = C6H5 (4), 1-萘基 (5), 9-蒽基 (6))及其锂衍生物Li2(Me2Si(C5Me4)C5H3(CHMeR)}) (R = C6H5 (7), 1-萘基 (8), 9-蒽基 (9))。通过锂衍生物1-3与[Zr(η5-C5H5)Cl3]或ZrCl4反应，合成了茂锆烷配合物[Zr(η5-C5H5)η5-C5H4- (CHMeR)}Cl2] (R = C6H5 (10), 1-萘基 (11), 9-蒽基 (12))和[Zrη5-C5H4(CHMeR)}2Cl2] (R = C6H5 (13), 1-萘基 (14), 9-蒽基 (15))。锂ansa-衍生物7-9与四氯化锆反应，得到了ansa-茂锆烷配合物[Zr(Me2Si(η5-C5Me4)η5-C5H3(CHMeR)})Cl2] (R = C6H5 (16), 1-萘基 (17), 9-蒽基 (18))。将这些茂锆烷配合物用于乙烯和丙烯的聚合反应，使用ansa-茂锆烷催化剂16-18聚合丙烯，得到了70%的mmmm五元组和对称的茂锆烷催化剂13-15则得到了30-60%的mmmm五元组聚丙烯。