cis-[p-MeC6H4C(NSiMe3)2]2ZrCl2 | 426212-48-8

• 英文名称: cis-[p-MeC6H4C(NSiMe3)2]2ZrCl2
• 英文别名: [(4-CH3C6H4C(NSiMe3)2)2ZrCl2]
• CAS: 426212-48-8
• 化学式: C₂₈H₅₀Cl₂N₄Si₄Zr
• 分子量: 717.204
• InChiKey: VPYAJRSIBDBJLT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  methyllithium lithium bromide 、 cis-[p-MeC6H4C(NSiMe3)2]2ZrCl2 以 甲苯 为溶剂， 以95%的产率得到cis-[p-MeC6H4C(NSiMe3)2]2ZrMe2
  参考文献：
  名称：

  Pressure Modulates Stereoregularities in the Polymerization of Propylene Promoted by rac-Octahedral Heteroallylic Complexes

  摘要：

  This communication reports the synthesis and activity of four racemic mixtures of bis(benzamidinate) group-4 complexes, cis-[p-R'C6H4C(NR)(2)](2)MX2 (R' = CH3, R = SiMe3, M = Ti, X = Cl (I); R' = CH3, R = SiMe3, M = Zr, X = Cl (2); R' = H, R = i-pr, M = Zr, X = Cl (3); R' = CH3, R = SiMe3, M = Zr, X = CH3 (4)) as precatalysts for the stereoregular polymerization of propylene. These complexes catalyze the stereoregular polymerization. of propylene only under pressure in CH2Cl2, producing polypropylene with very Large isotacticities (mmmm % = similar to 95-98), high melting points (140-154 degrees C).

  DOI：

  10.1021/om980335d
• 作为产物：
  描述：

  zirconium tetrachloride bis(tetrahydrofuran) complex 、 Li[((trimethylsilyl)N)2C(p-tolyl)](N,N,N',N'-tetramethylethylenediamine) 以 四氢呋喃 为溶剂， 生成 cis-[p-MeC6H4C(NSiMe3)2]2ZrCl2
  参考文献：
  名称：

  Pressure Modulates Stereoregularities in the Polymerization of Propylene Promoted by rac-Octahedral Heteroallylic Complexes

  摘要：

  This communication reports the synthesis and activity of four racemic mixtures of bis(benzamidinate) group-4 complexes, cis-[p-R'C6H4C(NR)(2)](2)MX2 (R' = CH3, R = SiMe3, M = Ti, X = Cl (I); R' = CH3, R = SiMe3, M = Zr, X = Cl (2); R' = H, R = i-pr, M = Zr, X = Cl (3); R' = CH3, R = SiMe3, M = Zr, X = CH3 (4)) as precatalysts for the stereoregular polymerization of propylene. These complexes catalyze the stereoregular polymerization. of propylene only under pressure in CH2Cl2, producing polypropylene with very Large isotacticities (mmmm % = similar to 95-98), high melting points (140-154 degrees C).

  DOI：

  10.1021/om980335d

文献信息

• Group 4 Octahedral Benzamidinate Complexes:  Syntheses, Structures, and Catalytic Activities in the Polymerization of Propylene Modulated by Pressure
  作者：Victoria Volkis、Elza Nelkenbaum、Anatoli Lisovskii、Gil Hasson、Rafi Semiat、Moshe Kapon、Mark Botoshansky、Yoav Eishen、Moris S. Eisen

  DOI：10.1021/ja020575r

  日期：2003.2.1

  to toluene. Contrary to complex 9, at atmospheric pressure the complex [4-CH(3)-C(6)H(4)C(NTMS)(2)](2)TiMe(2) (10) is not active either in CH(2)Cl(2) or in toluene. At high pressure, complex 10 produces elastomeric polypropylene. Activities of the isolobal complexes [C(6)H(4)C(NTMS)(2)](2)ZrMe(2) (11) and [C(6)H(4)C(NTMS)(2)](2)TiMe(2) (12) were found to be larger than those of complexes 9 and 10, respectively

  介绍了一些苯甲酰胺连接和几个第 4 组苯甲酰胺复合物的合成和结构 X 射线衍射研究。研究了顺式八面体 C(2) 对称化合物的使用，以阐明这些配合物作为丙烯立体规则聚合的潜在催化剂的概念适用性。我们证明了由早期过渡金属八面体苯甲脒配合物催化的丙烯有规立构聚合，用 MAO 或 B(C(6)F(5))(3) 作为助催化剂活化，可以通过压力调节（从无规立构到全同立构）通过弹性体）。聚合过程中的不同影响，如溶剂或助催化剂的性质、温度、压力、催化剂：助催化剂的摩尔比、并研究了配合物的对称性与聚合物微观结构之间的关系。当配合物 [4-CH(3)-C(6)H(4)C(NTMS)(2)](2)ZrMe(2) (9) 用 MAO 活化时，发现它是一种很好的催化剂用于丙烯聚合，在常压下，生产类似于无规立构聚丙烯的油状聚合物。被 B(C(6)F(5))(3) 激活后，复合物 9 产生高度全同立构 (mmmm = 98%)
• Bis(trimethylsilyl) benzamidinate zirconium dichlorides. Active catalysts for ethylene polymerization
  作者：Dorit Herskovics-Korine、Moris S. Eisen

  DOI：10.1016/0022-328x(95)05576-b

  日期：1995.11

  A study was made of the polymerization of ethylene involving the use of a series of [η4-4-RC6H4C(NSiMe3)2]2ZrCl2 as precatalysts (R = H (1); CH3 (2)). The benzamidinate zirconium dichloride complexes were prepared from ZrCl4 and the corresponding 4-RC6H4C(NSiMe3)2Li· TMEDA ligand. The structure of complex 1 was determined by a low-temperature X-ray diffraction study. “Cationic” ethylene polymerization

  一项研究，由乙烯的涉及使用一系列的聚合的[ η 4 -4-RC 6 H ^ 4 C（NSiMe 3）2 ] 2的ZrCl 2作为预催化剂（R = H（1）; CH 3（2））。由ZrCl 4和相应的4-RC 6 H 4 C（NSiMe 3）2 Li·TMEDA配体制备苯甲酰胺酸二氯化锆配合物。配合物1的结构通过低温X射线衍射研究确定。用甲基铝氧烷从1和2生成“阳离子”乙烯聚合催化剂。聚合物的聚合活性和分子量强烈取决于催化剂和助催化剂的浓度。随着压力和温度的升高，聚合活性急剧增加，而当将电子释放基团连接到芳环上时，聚合活性降低。