[Zr(η5-C5H4(CH(t-Bu)(Me)))2Cl2] | 1007107-91-6

• 英文名称: [Zr(η5-C5H4(CH(t-Bu)(Me)))2Cl2]
• CAS: 1007107-91-6
• 化学式: C₂₂H₃₄Cl₂Zr
• 分子量: 460.642
• InChiKey: DZFFYBKJANCXAO-JDLSWAFFSA-L

反应信息

• 作为产物：
  描述：

  lithium methylneopentylcyclopentadienide 、 氯化锆(IV) 以 四氢呋喃 为溶剂， 以72%的产率得到[Zr(η5-C5H4(CH(t-Bu)(Me)))2Cl2]
  参考文献：
  名称：

  Synthesis of chiral unbridged zirconocene complexes: Applications in the polymerization of ethylene and propylene

  摘要：

  The lithium derivatives of the chiral substituent bearing cyclopentadienyl ligands, Li{C5H4(CHRR')} (R=Pr-i, R'=Me (1); R=Pr-i, R'=Ph (2); R=Bu-t, R'= Me (3); R=Bu-t, R'=Ph (4)), were prepared via the reaction of alkyllithium compounds with the corresponding fulvene reagent. The mixed cyclopentadienyl zirconocene complexes [Zr(eta(5)-C5H5)(eta(5)-C5H4{CHRR'})Cl-2] (R=Pr-i, R'= Me (5); R= Pr-i, R'=Ph (6); R=Bu-t, R'=Me (7); R=Bu-t, R'=Ph (8)) were prepared via the reaction of the lithium precursors 1-4 with [Zr(eta(5)-C5H5)Cl-3]. The symmetrical zirconocene complexes, [Zr(eta(5)-C5H4{CHRR'})(2)Cl-2] (R=Pr-i, R'=Me (9); R=Pr-i, R'=Ph (10); R=Bu-t, R'=Me (11); R=Bu-t, R'=Ph (12)), were synthesized from the reaction of two molar equivalents of 1-4 with ZrCl4. When the mono(cyclopentadienyl) complexes [Zr(eta(5)-C5H4{CHRR'})Cl-3] (R=Pr-i, R'=Me (17); R=Pr-i, R'=Ph (18); R=Bu-t, R'=Me (19); R=Bu-t, R'=Ph (20)) were reacted with Li(C9H7) the zirconocene derivatives, [Zr(eta(5)-C9H7)(eta(5)-C5H4{CHRR'})Cl-2] (R=Pr-i, R'=Me (21); R=Pr-i, R'=Ph (22); R=Bu-t, R'=Me (23); R=Bu-t, R'=Ph (24)), were obtained. The molecular structure of 11 has been determined by single-crystal X-ray diffraction studies. 5-12 and 21-24 have been tested as catalysts in the polymerization of ethylene and propylene. Isotactic polypropylene with [mmmm] pentads between 20 and 40% were obtained and their tacticity can be related directly to the structure of the catalyst. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.12.040