1,1'-bis(chlorodimethylsilyl)zirconocene dichloride | 159771-55-8

• 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: 1,1'-bis(chlorodimethylsilyl)zirconocene dichloride
• 英文别名: ZrCl2(η(5)-C5H4SiMe2Cl)2；(η5-C5H4SiMe2Cl)2ZrCl2；chloro-cyclopenta-2,4-dien-1-yl-dimethylsilane;dichlorozirconium(2+)
• CAS: 159771-55-8
• 化学式: C₁₄H₂₀Cl₄Si₂Zr
• 分子量: 477.52
• InChiKey: FZKUQGBIEKSVKV-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：

  1,1'-bis(chlorodimethylsilyl)zirconocene dichloride 、 氨 在 K 作用下， 以 氨 、 甲苯 为溶剂， 以60.2%的产率得到[HN(SiMe2C5H4)2Zr(μ-H)H]2
  参考文献：
  名称：

  Intramolecular Coupling of Two Cyclopentadienyl Ring Systems of ZirconiumUnprecedented Formation of a Dihydride and Preparation of the [{(MeC₅H₄)Zr}₅(μ₅-N)(μ₃-NH)₄(μ-NH₂)₄] Cluster in a Two-Phase System

  摘要：

  Reaction of (ClMe2SiC5H4)(2)ZrCl2 (1) with K (Na) in liquid ammonia/toluene at -78 degreesC gave the ansa-zirconocene dihydride [{HN(SiMe2C5H4)(2)Zr(mu -H)H}(2)] (3). Alternatively, treatment of (MeC5H4)(2)ZrCl2 (2) with K (Na) or NaNH2 in liquid ammonia/toluene produced the zirconium cluster [{(MeC5H4)Zr}(5)(mu (5)-N)-(mu (3)-NH)(4)(mu -NH2)(4)] (4). The reaction of 2 with NaNH2 in THF led also to the formation of 4.

  DOI：

  10.1021/om0004500
• 作为产物：
  描述：

  1-(chlorodimethylsilyl)-1-(trimethylsilyl)cyclopentadiene 、 氯化锆(IV) 以 二氯甲烷 为溶剂， 以74%的产率得到1,1'-bis(chlorodimethylsilyl)zirconocene dichloride
  参考文献：
  名称：

  Ciruelos, Santiago; Cuenca, Tomás; Gómez-Sal, Pilar, Organometallics, 1995, vol. 14, # 1, p. 177 - 185

  摘要：

  DOI：

文献信息

• Synthesis, Structure and Reactivity of a Zirconocene Dichloride with (Me ₃ Si) ₂ NSiMe ₂ Side‐Chains
  作者：Alexander Rau、Hans‐Peter Dornik、Helmut Paulus、Gerhard Luft

  DOI：10.1002/1099-0682(200107)2001:7<1785::aid-ejic1785>3.0.co;2-#

  日期：2001.7
• Synthesis of sandwich and half-sandwich complexes of Ti, Zr and Hf containing η5-C5H4SiMe2Cl ligand. Molecular structure of [TiCl2(μ-OSiMe2-η5-C5H4)]2
  作者：Andrew V. Churakov、Dmitry A. Lemenovskii、Ludmila G. Kuz'mina

  DOI：10.1016/0022-328x(94)05241-3

  日期：1995.3

  Reactions of (C(5)H(4)SiMe(3))SiMe(2)Cl (1) and (mu-SiMe(2)C(5)H(4))(2) (2) with Ti, Zr and Hf tetrachlorides lead to the complexes M(eta(5)-C(5)H(4)SiMe(2)Cl)Cl-3 (M = Ti, 3a; Zr, 3b; Hf, 3c). Treatment of 3a with cyclopentadienyl thallium affords Ti(eta(5)-C5H5)(eta(5)- C(5)H(4)SiMe(2)Cl)Cl-2 (4). Dimeric oxo-derivative [TiCl2(mu-OSiMe(2)-eta(5)-C5H4)](2) (5) was prepared by slow hydrolysis of 3a. Structure of 5 was determined by X-ray diffraction.
• Influence of the Departing Group on the Electrophilic Cleavage of Silicon−Carbon Bonds Adjacent to Zirconocene Dichloride. Preparation of Electrophile-Functionalized Zirconocene Dibromides
  作者：Paul A. Deck、Xu Cheng、Edward J. Stoebenau、Carla Slebodnick、Damon R. Billodeaux、Frank R. Fronczek

  DOI：10.1021/om0005452

  日期：2000.12.1

  (EtMe2SiC5H4)CpZrCl2 (5) reacts with BBr3 in 1,2-dichloroethane (reflux, 24 h) to afford a 4:1 mixture of (EtMeBrSiC5H4)CpZrBr2 (10) and (BrMe2SiC5H4)CpZrBr2 (11) in a nearly quantitative conversion. Similarly, ((BuMe2SiC5H4)-Bu-t)CpZrCl2 (6) reacts with BBr3 to afford a 15:1 mixture of ((BuMeBrSiC5H4)-Bu-t)CpZrBr2 (13) and 11. The product 11 is obtained independently by treating (Me3SiC5H4)CpZrCl2 (12) with BBr3. In contrast, Si-Ph bonds are cleaved with complete selectivity in the presence of Si-Me groups. (PhMe2SiC5H4)(2)-ZrCl2 (8) reacts with excess BCl3 in dichloromethane (reflux, 15 h) to afford (ClMe2SiC5H4)(2)-ZrCl2 (14) in 72% yield. (Ph2MeSiC5H4)(2)ZrCl2 (9) reacts with excess BBr3 in 1,2-dichloroethane (reflux, 15 h) to afford (Br2MeSiC5H4)(2)ZrBr2 (15) in 79% yield. Complexes 9 and 15 were analyzed by single-crystal X-ray diffraction. Crystalline 9 adopts a pseudo-C-2 conformation in which the face of the Ph group of one ligand shows a weak interaction with a C-H bond of the other ligand. Crystalline 15 also adopts a pseudo-C-2 conformation, in which the SiBr2 groups are directed away from the ZrBr2 group.