[η5:σ-Me2Si(C9H6)(C2B10H10)]Zr(NMe2)2 | 386285-22-9

• 英文名称: [η5:σ-Me2Si(C9H6)(C2B10H10)]Zr(NMe2)2
• CAS: 386285-22-9
• 化学式: C₁₇H₃₄B₁₀N₂SiZr
• 分子量: 493.89
• InChiKey: XUICZNAAZXSSRP-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 [η5:σ-Me2Si(C9H6)(C2B10H10)]Zr(NMe2)2 以 甲苯 为溶剂， 以81%的产率得到[η5:σ-Me2Si(C9H6)(C2B10H10)]Zr[η2-S2CNMe2]2
  参考文献：
  名称：

  Multiple Insertion of Unsaturated Molecules into the Zr−N Bonds of [η⁵:σ-Me₂A(C₉H₆)(C₂B₁₀H₁₀)]Zr(NMe₂)₂ (A = C, Si)

  摘要：

  The compounds [eta(5):sigma-Me(2)A(C9H6)(C2B10H10)]Zr(NMe2)(2) (A = C, Si) reacted with CS2, PhCN, CH2=CHCN, (BuNCS)-Bu-n, and PhNCO to give the mono-, di-, and triinsertion products, depending upon the substrates. These unsaturated substances inserted exclusively into the Zr-N bonds, and the Zr-C(cage) bond remains intact in all reactions. It is believed that the preference of Zr-N over Zr-C(cage) insertion is governed by steric factors. The metal amide compounds also initiated the polymerization of CH2=CHCN to produce poly(acrylonitrile) and catalyzed the trimerization of PhNCO. On the other hand, they reacted with methyl methacrylate to afford [{eta(5):sigma-Me(2)A(C9H6)(C2B10H10)}Zr(OCH3)(mu-OCH3)](2) and CH2=C(Me)CONMe2. All insertion products were fully characterized by various spectroscopic data, elemental analyses, and X-ray diffraction studies.

  DOI：

  10.1021/om0304255
• 作为产物：
  描述：

  四(二甲氨基)锆 、 以 甲苯 为溶剂， 以91%的产率得到[η5:σ-Me2Si(C9H6)(C2B10H10)]Zr(NMe2)2
  参考文献：
  名称：

  具有约束几何形状的碳硼烷配体的第4族金属配合物的合成，结构表征和烯烃聚合行为

  摘要：

  几种新的第4族金属的酰胺络合物与最近开发的限制几何构型碳硼烷配位体，[η 5：σ-ME 2 A（C 9 H ^ 6）（C 2乙10 ħ 10）] M（NR 2）2和[η 5：σ-ME 2 A（C 5 H ^ 4）（C 2乙10 ħ 10）] M（NR 2）2（A = C，硅; M =钛，锆; R =甲基，乙基），是在制备通过M（NR 2）4的胺消除反应获得良好的收率和甲苯中的相应中性配体。用2.5当量的Me酰胺配合物的治疗2 NH·HCl的或Me 3 N·盐酸导致相应的氯化物配合物的高产率，[{η 5：σ-ME 2 A（C 9 H ^ 6）（C 2乙10 ħ 10）}的ZrCl（μ-Cl）的1.5 ] 2 -（A = C，Si）的，这也可以由使用ZrCl之间等摩尔反应制备4（THF）2和[我2 C（ç 9 ħ 6） （C 2 B 10 H 10）] Li 2。相反，过量我3的SiCl只能转换[η

  DOI：

  10.1021/om010642a

文献信息

• Reactions of L2Zr(NMe2)2 with Me3Al and PhCCH: synthesis and structural characterization of new zirconium carborane complexes [L2=Me2Si(C9H6)(C2B10H10) and Me2C(C5H4)(C2B10H10)]
  作者：Yaorong Wang、Haiping Wang、Hong Wang、Hoi-Shan Chan、Zuowei Xie

  DOI：10.1016/s0022-328x(03)00342-5

  日期：2003.10

  Reaction of [eta(5):sigma-Me2Si(C9H6)(C2B10H10)]Zr(NMe2)(2) with excess Me3Al in toluene gave [eta(5):sigma-Me2Si(C9H6)(C2B10H10)]Zr(mu-Me)(2)AlMe2(NMe2) (2). (2). 2 is inactive toward ethylene, but shows a very high activity in ethylene polymerization upon activation with modified methylalumoxane. Recrystallization of 2 from THF/toluene afforded [eta(5):sigma-Me2Si(C9H6)(C2B10H10)]Zr}(2)(mu-O)mu-N[AlMe2(THF)]} (3). Treatment of [eta(5):sigma-Me2C(C5H4)(C2B10H10)]Zr(NMe2)(2) with two equivalents of PhC=CH produced, after recrystallization from THF/toluene, [eta(5):sigma-Me2C(C5H4)(C2B10H10)]Zr(NMe2)}(2)eta(2)eta(2)-(PhC=C=C=CPh)} (5). They were characterized by various spectroscopic data and elemental analyses. Compounds 3 and 5 were further confirmed by single-crystal X-ray analyses. (C) 2003 Elsevier Science B.V. All rights reserved.