(p-tolylmethanimido)zirconocene chloride | 125842-14-0

• 英文名称: (p-tolylmethanimido)zirconocene chloride
• CAS: 125842-14-0
• 化学式: C₁₈H₁₈ClNZr
• 分子量: 375.025
• InChiKey: IDRGSTZMUKIHBK-UHFFFAOYSA-M

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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (p-tolylmethanimido)zirconocene chloride 、 lithium n-butyltris(pentafluorophenyl)borate 以 二氯甲烷 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis of dimetallic μ-alkylideneamido zirconocene dications by a thermodynamically favorable lithium chloride elimination pathway

  摘要：

  The reagent [butyl-B(C6F5)(3)](-) Li+ reacts with the Complexes CP2ZrCl(N=CHR) (6) (R=CH3 or p-tolyl) at ambient temperature by chloride abstraction. The resulting in situ formed [CP2Zr(N=CHR)](+) cations (8) dimerize under the reaction conditions. After removal of a stoichiometric amount of lithium chloride the corresponding mu-alkylideneamido-bridged dimeric [Cp2Zr(N=CHR)](2)(2+) dications 9a (R=CH3) and 9b (R=p-tolyl) are isolated in yields of ca. 80% (with [butyl-B(C6F5)(3)](-) counteranion). The complexes 9a and 9b are each obtained as mixtures of cis- and trans-isomers. Crystallization from dichloromethane gave pure trans-9a and trans-9b samples, Both were characterized by X-ray crystal structure analyses. Treatment of the dications 9 with acetonitrile gave the respective mononuclear monocationic adduct complexes [Cp2Zr(N=CHR1)NdropC-CH3](+)[butyl-B(C6F5)(3)](-) (16). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01205-0
• 作为产物：
  描述：

  Schwartz's reagent 、 对甲苯腈 以 甲苯 为溶剂， 以80%的产率得到(p-tolylmethanimido)zirconocene chloride
  参考文献：
  名称：

  Synthesis of dimetallic μ-alkylideneamido zirconocene dications by a thermodynamically favorable lithium chloride elimination pathway

  摘要：

  The reagent [butyl-B(C6F5)(3)](-) Li+ reacts with the Complexes CP2ZrCl(N=CHR) (6) (R=CH3 or p-tolyl) at ambient temperature by chloride abstraction. The resulting in situ formed [CP2Zr(N=CHR)](+) cations (8) dimerize under the reaction conditions. After removal of a stoichiometric amount of lithium chloride the corresponding mu-alkylideneamido-bridged dimeric [Cp2Zr(N=CHR)](2)(2+) dications 9a (R=CH3) and 9b (R=p-tolyl) are isolated in yields of ca. 80% (with [butyl-B(C6F5)(3)](-) counteranion). The complexes 9a and 9b are each obtained as mixtures of cis- and trans-isomers. Crystallization from dichloromethane gave pure trans-9a and trans-9b samples, Both were characterized by X-ray crystal structure analyses. Treatment of the dications 9 with acetonitrile gave the respective mononuclear monocationic adduct complexes [Cp2Zr(N=CHR1)NdropC-CH3](+)[butyl-B(C6F5)(3)](-) (16). (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01205-0