([η5:σ-Me2C(C5H4)(C2B10H10)]Zr(NMe2))2(η2:η2-(C6H5C=C=C=CC6H5)) | 628723-24-0

• 英文名称: ([η5:σ-Me2C(C5H4)(C2B10H10)]Zr(NMe2))2(η2:η2-(C6H5C=C=C=CC6H5))
• CAS: 628723-24-0
• 化学式: C₄₀H₆₂B₂₀N₂Zr₂
• 分子量: 969.614
• InChiKey: PHJCHIMIZYHFFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [η5:σ-Me2C(C5H4)(C2B10H10)]Zr(NMe2)2 、 苯乙炔 以 甲苯 为溶剂， 以38%的产率得到([η5:σ-Me2C(C5H4)(C2B10H10)]Zr(NMe2))2(η2:η2-(C6H5C=C=C=CC6H5))
  参考文献：
  名称：

  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)]

  摘要：

  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.

  DOI：

  10.1016/s0022-328x(03)00342-5