(pentamethylcyclopentadienyl)diphenylsilane | 660407-86-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (pentamethylcyclopentadienyl)diphenylsilane
• 英文别名: 1-Methyldiphenylsilyl-2,3,4,5-tetramethylcyclopentadiene；(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-diphenylsilane
• CAS: 660407-86-3
• 化学式: C₂₂H₂₆Si
• 分子量: 318.534
• InChiKey: QBEFJYNJLGTZHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氯化二苯基硅烷 、 pentamethylcyclopentadienyllithium 以 乙醚 为溶剂， 反应 2.0h， 以32%的产率得到(pentamethylcyclopentadienyl)diphenylsilane
  参考文献：
  名称：

  C5SiMe7 +阳离子：锥体，双环或环己二烯基？

  摘要：

  可以通过从（五甲基环戊二烯基）二甲基硅烷Cp * SiMe2H氢化物提取来获得C6Me7 +阳离子的单硅单类似物。在-50℃下，在二氯甲烷中用四（五氟苯基）硼酸三苯基甲基钾处理该物质，产生了稳定一天或更长的单一阳离子。在1H和13C光谱中，环甲基的单共振和甲硅烷基甲基的单共振的存在表明具有五重对称性的静态结构或动态结构，其中二甲基甲硅烷基在各个位置之间快速平衡。密度泛函理论计算发现了一个最小值，其结构具有不对称的硅双环[3.1.0]己烯基结构。计算得出的1H，13C，该结构的29Si和29Si化学位移与该结构的观测值高度吻合。另一个计算出的最小值是硅环己二烯基结构，但其计算出的化学位移与观察到的非常不同。我们得出的结论是，阳离子具有双环结构，但会迅速相互转换环位置以产生非常简单的NMR光谱。

  DOI：

  10.1039/b302921m

文献信息

• TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND
  申请人：Kawashima Yasutoyo

  公开号：US20120184431A1

  公开（公告）日：2012-07-19

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Also disclosed is a method for economically preparing a butyl-branched ethylene polymer, even under high temperature conditions, by using said transition metal complex as an ethylene trimerization catalyst, and polymerizing ethylene in the presence of an olefin polymerization catalyst that is obtained by bringing an olefin copolymerization catalyst and an activating co-catalytic component into contact with one another. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明揭示了一种过渡金属配合物，可作为催化组分，通过乙烯三聚反应，在高温条件下高效选择性地生产1-己烯。还揭示了一种使用该过渡金属配合物作为乙烯三聚催化剂，在存在烯烃聚合催化剂的情况下，在高温条件下经济制备丁基支化乙烯聚合物的方法，所述烯烃聚合催化剂是由烯烃共聚催化剂和激活协同催化组分相互接触而获得的。所述过渡金属配合物由下列通式（1）表示，其中M1代表第4族过渡金属原子，R1到R11和X1到X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105572A1

  公开（公告）日：2015-04-16

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明涉及一种过渡金属配合物，该配合物可作为催化组分，在乙烯三聚反应中，即使在高温条件下，也能高效地选择性地生产1-己烯。所述过渡金属配合物由下述一般式（1）表示，其中M1表示4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。
• CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105237A1

  公开（公告）日：2015-04-16

  Disclosed is a catalytic component for trimerization containing a transition metal complex with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Also disclosed is a trimerization catalyst that is obtained by bringing an olefin copolymerization catalyst and an activating co-catalytic component into contact with one another. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明揭示了一种催化三聚化的催化成分，其中包含一种过渡金属配合物，通过乙烯三聚化反应，即使在高温条件下，也能高效地选择性地生产1-己烯。还揭示了一种三聚化催化剂，其是通过使烯烃共聚催化剂和活化共催化成分相互接触而获得的。所述过渡金属配合物由下述一般式（1）表示，其中M1表示第4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。