[Zr(3,5-dimethylpyrazolate)2(dimethylamide)2(dimethylamine)2] | 960497-77-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [Zr(3,5-dimethylpyrazolate)2(dimethylamide)2(dimethylamine)2]
• 英文别名: [Zr(η2-3,5-dimethylpyrazol-1-ato)2(NMe2)2(NHMe2)2]；[Zr(η2-(3,5-Me2Pz))2(NMe2)2(HNMe2)2]
• CAS: 960497-77-2
• 化学式: C₁₈H₄₀N₈Zr
• 分子量: 459.793
• InChiKey: TZWLVEQFSRALIW-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：

  3,5-二甲基吡唑 、 四(二甲氨基)锆 以 甲苯 为溶剂， 以95%的产率得到[Zr(3,5-dimethylpyrazolate)2(dimethylamide)2(dimethylamine)2]
  参考文献：
  名称：

  Bis(3,5-dimethylpyrazol-1-ato) zirconium complexes as precursors for ethylene polymerisation upon activation with MAO: Syntheses, characterisation and X-ray molecular structure of [Zr(η2-3,5-Me2Pz)2Cl2(η1-3,5-Me2PzH)2]·(3,5-Me2PzH) and [Zr(η2-3,5-Me2Pz)2(CH2Ph)2] (3,5-Me2Pz=3,5-dimethylpyrazol-1-ato)

  摘要：

  The bis(3,5-dimethylpyrazol-1-ato) zirconium complex [Zr(eta(2)-3,5-Me(2)Pz)(2)(NMe2)(2)(NHMe2)(2)] (2) is obtained by treatment of [Zr(NMe2)(4)] with 2 equiv. of 3,5-dimethylpyrazole 1. The reaction of the [ZrCl4(THF)(2)] adduct with 2 equiv. of the potassium salt of 1 affords the dichloro derivative [Zr(eta(2)-3,5-Me(2)Pz)(2)Cl-2](n) (3), while reaction with 4.1 equiv. of 1 in the presence of 2.1 equiv. of NEt3 affords the dichloro pyrazole adduct [Zr(eta(2)-3,5-Me(2)Pz)(2)Cl-2(eta(1)-3,5-Me(2)PzH)(2)] (4). Treatment of [Zr(CH2Ph)(4)] with 2 equiv. of 1 gives the dibenzyl complex [Zr(eta(2)-3,5-Me(2)Pz)(2)(CH2Ph)(2)](5) via alkane elimination. Compound 4 presents fluxional behaviour in CDCl3 solution, which was studied and quantified by variable-temperature proton NMR experiments. All compounds were characterised by routine analyses and the molecular structures of 4 and 5 were established by single-crystal X-ray diffraction studies. The performance of precursors 3 and 5 was evaluated in ethylene polymerisation upon activation with MAO. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.08.001

文献信息

• Novel dinuclear dimethylamido-3,5-dimethylpyrazolato and tetranuclear dimethylamido-3,5-dimethylpyrazolato-polyoxo zirconium(iv) complexes. Synthesis and structural characterisation
  作者：Martial Sanz、Marta E. G. Mosquera、Tomás Cuenca

  DOI：10.1039/b817574h

  日期：——

  dinuclear dimethylamido-tris(3,5-dimethylpyrazolato)-zirconium(IV) complex [Zr(3,5-Me2Pz)3(NMe2)]21 is prepared by treatment of [Zr(NMe2)4] with 3 equivalents of 3,5-dimethylpyrazole (3,5-Me2PzH) with elimination of dimethylamine. When [Zr(NMe2)4] reacted with 2 equivalents of 3,5-Me2PzH, the bis(dimethylamido)-bis(3,5-dimethylpyrazolato)zirconium(IV) compound [Zr(3,5-Me2Pz)2(NMe2)2]22 is obtained. Hydrolysis

  通过处理[Zr（NMe 2）4 ]来制备双核二甲基氨基-三（3,5-二甲基吡唑并）-锆（IV）络合物[Zr（3,5-Me 2 PZ）3（NMe 2）] 2 1。与3当量3,5-二甲基吡唑（3,5-Me 2 PZH）消除了二甲胺。当[Zr（NMe 2）4 ]与2当量的3,5-Me 2 PZH反应时，双（二甲基氨基）-双（3,5-二甲基吡唑并）锆（IV）化合物[Zr（3,5-Me 2得到PZ）2（NMe 2）2 ] 2 2。水解湿法制备[Zr（3,5-Me 2 PZ）3（NMe 2）] 2甲苯 提供四核 含氧化合物[锆4（η 2 -3,5--ME 2 PZ）4（NME 2）2（μ 3 -O）2（μ 2 -3,5--ME 2 PZ）4（μ 2 -NMe 2）2 ] 4。所有合成的化合物的特征是核磁共振 光谱和分析方法。 单晶X射线衍射分析建立了1和4的分子结构。