chloromethyl(2,3,4,5-tetramethyl-2,4-cyclopentadienyl)silane | 250274-34-1

• 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: chloromethyl(2,3,4,5-tetramethyl-2,4-cyclopentadienyl)silane
• 英文别名: Chloro-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
• CAS: 250274-34-1
• 化学式: C₁₀H₁₇ClSi
• 分子量: 200.783
• InChiKey: JBSHPEZQHAKVDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  222.3±29.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  chloromethyl(2,3,4,5-tetramethyl-2,4-cyclopentadienyl)silane 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 35.0h， 生成 Li2[C5Me4SiMeH(N-t-Bu)]
  参考文献：
  名称：

  Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes

  摘要：

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl{N(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00122-0
• 作为产物：
  描述：

  甲基二氯硅烷 、 lithium tetramethylcyclopentadienide 以 四氢呋喃 为溶剂， 以96.7%的产率得到chloromethyl(2,3,4,5-tetramethyl-2,4-cyclopentadienyl)silane
  参考文献：
  名称：

  Metallocene catalysts, catalyst systems, and methods for using the same

  摘要：

  本文公开了一种催化剂化合物，其由公式（I）或公式（II）表示：其中M是第4族金属。每个R1，R2，R3，R4，R5，R6，R7，R8和R9独立地表示氢，或者是C1-C50取代或未取代的烃基，卤代烃基，硅烷基，烷氧基，硅氧基，或其中的一个或多个，R1和R2，R2和R3，R3和R4，R5和R6，R6和R7，以及R7和R8中的一对结合形成饱和或不饱和环。每个X独立地表示卤素或C1-C50取代或未取代的烃基，氢化物，酰胺，醇盐，硫化物，磷化物，卤化物，或其组合物，或者两个X结合在一起形成金属环，或两个X结合形成螯合配体，二烯基配体或烷基亚烷基。本文还公开了使用该催化剂化合物在催化系统中生产聚烯烃聚合物的方法。

  公开号：

  US10730038B2

文献信息

• Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes
  作者：Ana Belén Vázquez、Pascual Royo

  DOI：10.1016/s0022-328x(03)00122-0

  日期：2003.4

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)ClN(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.
• Metallocene catalysts, catalyst systems, and methods for using the same
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10730038B2

  公开（公告）日：2020-08-04

  Disclosed herein is a catalyst compound represented by Formula (I) or Formula (II): M is a group 4 metal. Each of R1, R2, R3, R4, R5, R6, R7, R8, and R9 is independently hydrogen, or a C1-C50 substituted or unsubstituted hydrocarbyl, halocarbyl, silylcarbyl, alkoxyl, siloxyl, or one or more of R1 and R2, R2 and R3, R3 and R4, R5 and R6, R6 and R7, and R7 and R8 are joined to form cyclic a saturated or unsaturated ring. Each X is independently a halide or C1-C50 substituted or unsubstituted hydrocarbyl, hydride, amide, alkoxide, sulfide, phosphide, halide, or a combination thereof, or two Xs are joined together to form a metallocycle ring, or two Xs are joined to form a chelating ligand, a diene ligand, or an alkylidene. Also disclosed is a method for using the catalyst compound in a catalyst system to produce polyolefin polymers.

  本文公开了一种催化剂化合物，其由公式（I）或公式（II）表示：其中M是第4族金属。每个R1，R2，R3，R4，R5，R6，R7，R8和R9独立地表示氢，或者是C1-C50取代或未取代的烃基，卤代烃基，硅烷基，烷氧基，硅氧基，或其中的一个或多个，R1和R2，R2和R3，R3和R4，R5和R6，R6和R7，以及R7和R8中的一对结合形成饱和或不饱和环。每个X独立地表示卤素或C1-C50取代或未取代的烃基，氢化物，酰胺，醇盐，硫化物，磷化物，卤化物，或其组合物，或者两个X结合在一起形成金属环，或两个X结合形成螯合配体，二烯基配体或烷基亚烷基。本文还公开了使用该催化剂化合物在催化系统中生产聚烯烃聚合物的方法。