(2-allyloxy-3-tert-butyl-5-methylphenyl)(fluoren-9-yl)dimethylsilane | 188021-64-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: (2-allyloxy-3-tert-butyl-5-methylphenyl)(fluoren-9-yl)dimethylsilane
• 英文别名: (2-allyloxy-3-tert-butyl-5-methylphenyl)(9H-fluoren-9-yl)dimethylsilane；(3-tert-butyl-5-methyl-2-prop-2-enoxyphenyl)-(9H-fluoren-9-yl)-dimethylsilane
• CAS: 188021-64-9
• 化学式: C₂₉H₃₄OSi
• 分子量: 426.674
• InChiKey: AMVTWWKAEPBTHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.12
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  [2-(allyloxy)-3-tert-butyl-5-methylphenyl](chloro)dimethylsilane 、 芴 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 (2-allyloxy-3-tert-butyl-5-methylphenyl)(fluoren-9-yl)dimethylsilane
  参考文献：
  名称：

  Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature

  摘要：

  For producing high molecular weight copolymers of ethylene and I-hexene, a series of silicon-bridged fluorenyl-phenoxy group 4 complexes R2Si(Flu)(3-'Bu-5-Me-2-C6H2O)MCl2 (4a: M = Ti; R = Me; Flu = fluoren-9-yl; 4b: M = Ti; R = Et; Flu = fluoren-9-yl; 4c: M = Ti; R Me; Flu = 2,7-'Bu-2-fluoren-9-yl; 4d: M = Ti; R = Et; Flu = 2,7-'Bu-2-fluoren-9-yl; 8: M = Zr; R Me; Flu 2,7-'Bu-2-fluoren-9-yl; 9: M = Hf; R = Me; Flu = 2,7-'Bu-2-fluoren-9-yl) were prepared by two methods. One was a reaction of MCl4 (M = Ti, Zr, and Ho with the dilithium salts generated by treating corresponding ligands 1a-d with "BuLi in the presence of Et3N in toluene and the other used MCl2(NR'(2))(2) (6a: M = Ti; R' = Me, 6b: M = Zr; R' = Et, 6c: M = Hf, R' = Me) instead of MCl4 followed by successive chlorination with Me3SiCl. X-ray crystallographic study of 4d indicated that the cyclopentadienyl moiety of the fluorenyl ligand is bound to the titanium atom in a fashion between eta(3) and eta(5). The newly prepared titanium Complexes 4a-d exhibited high catalytic activities for copolymerization of ethylene and 1-hexene in the presence of 'Bu3Al/[Me3NHPh][B(C6F5)(4)] and afforded higher molecular weight copolymers than the parent tetramethyl-substituted cyclopentadienyl titanium complex Me2Si(eta(5)-C5Me4)(3-'Bu-5-Me-2-C6H2O)TiCl2 (10). In particular, the active species generated from complex 4d was thermally stable and exhibited high polymerization activities even at 210 degrees C and produced high molecular weight copolymers with good 1-hexene content.

  DOI：

  10.1021/ma902700v

文献信息

• Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature
  作者：Taichi Senda、Hidenori Hanaoka、Shinya Nakahara、Yoshiaki Oda、Hayato Tsurugi、Kazushi Mashima

  DOI：10.1021/ma902700v

  日期：2010.3.9

  For producing high molecular weight copolymers of ethylene and I-hexene, a series of silicon-bridged fluorenyl-phenoxy group 4 complexes R2Si(Flu)(3-'Bu-5-Me-2-C6H2O)MCl2 (4a: M = Ti; R = Me; Flu = fluoren-9-yl; 4b: M = Ti; R = Et; Flu = fluoren-9-yl; 4c: M = Ti; R Me; Flu = 2,7-'Bu-2-fluoren-9-yl; 4d: M = Ti; R = Et; Flu = 2,7-'Bu-2-fluoren-9-yl; 8: M = Zr; R Me; Flu 2,7-'Bu-2-fluoren-9-yl; 9: M = Hf; R = Me; Flu = 2,7-'Bu-2-fluoren-9-yl) were prepared by two methods. One was a reaction of MCl4 (M = Ti, Zr, and Ho with the dilithium salts generated by treating corresponding ligands 1a-d with "BuLi in the presence of Et3N in toluene and the other used MCl2(NR'(2))(2) (6a: M = Ti; R' = Me, 6b: M = Zr; R' = Et, 6c: M = Hf, R' = Me) instead of MCl4 followed by successive chlorination with Me3SiCl. X-ray crystallographic study of 4d indicated that the cyclopentadienyl moiety of the fluorenyl ligand is bound to the titanium atom in a fashion between eta(3) and eta(5). The newly prepared titanium Complexes 4a-d exhibited high catalytic activities for copolymerization of ethylene and 1-hexene in the presence of 'Bu3Al/[Me3NHPh][B(C6F5)(4)] and afforded higher molecular weight copolymers than the parent tetramethyl-substituted cyclopentadienyl titanium complex Me2Si(eta(5)-C5Me4)(3-'Bu-5-Me-2-C6H2O)TiCl2 (10). In particular, the active species generated from complex 4d was thermally stable and exhibited high polymerization activities even at 210 degrees C and produced high molecular weight copolymers with good 1-hexene content.