[(η5-Cp)ZrCl2(3-cyano-2-(2,6-diisopropylphenylamino)-4-(phenylimino)pent-2-ene(-H))(tris(pentafluorophenyl)borane)]*benzene | 1255644-82-6

• 英文名称: [(η5-Cp)ZrCl2(3-cyano-2-(2,6-diisopropylphenylamino)-4-(phenylimino)pent-2-ene(-H))(tris(pentafluorophenyl)borane)]*benzene
• CAS: 1255644-82-6
• 化学式: C₆H₆*C₄₇H₃₃BCl₂F₁₅N₃Zr
• 分子量: 1175.83
• InChiKey: VKQPVOYIHQIYRV-BQMFCGQMSA-L

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：
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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-Cp)ZrCl2(3-cyano-2-(2,6-diisopropylphenylamino)-4-(phenylimino)pent-2-ene(-H))]*THF 、 三(五氟苯基)硼烷 、 苯 以 甲苯 为溶剂， 以80%的产率得到[(η5-Cp)ZrCl2(3-cyano-2-(2,6-diisopropylphenylamino)-4-(phenylimino)pent-2-ene(-H))(tris(pentafluorophenyl)borane)]*benzene
  参考文献：
  名称：

  Synthesis of a [(π-Cyano-nacnac)Cp]zirconium Complex and Its Remote Activation for Ethylene Polymerization

  摘要：

  The NC-nacnacH ligand (2) was prepared by the deprotonation of the unsymmetrically N5-phenyl, N1-2,6-diisopropylphenyl substituted bis(imino) acetylacetonate nacnacH system (1) with n-butyllithium followed by cyanation with tosyl cyanide. Subsequent deprotonation (KH) gave the [NC-nacnac]K salt (3), which was transmetalated by reacting it with CpZrCl3(dme), to yield the complex (NC-nacnac)-CpZrCl2 (5). Addition of one molar equivalent of B(C6F5)(3) gave [(C6F5)(3)B-NC-nacnac]CpZrCl2 (6). The compounds 2, 5, and 6 were characterized by X-ray diffraction. Activation of 5 with MAO gave an active homogeneous Ziegler-Natta catalyst for ethylene polymerization. The (NC-nacnac)CpZrCl2/MAO system is ca. 7 times more active than the CN-free reference system (nacnac)CpZrCl2 (4)/MAO. The B(C6F5)(3)-containing system 6/MAO has an activity similar to 5/MAO but allows for much lower MAO concentration before the catalytic activity ceases.

  DOI：

  10.1021/om100866t