[(cyclopentadienyl)2Zr(5,5'-bis(trimethylsilylalkynyl)-2,2'-bipyridine)] | 310408-21-0

• 英文名称: [(cyclopentadienyl)2Zr(5,5'-bis(trimethylsilylalkynyl)-2,2'-bipyridine)]
• CAS: 310408-21-0
• 化学式: C₃₀H₃₄N₂Si₂Zr
• 分子量: 570.008
• InChiKey: AONXWUWMRCMUJS-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：

  zirconocene (pyridine)(η2-bis(trimethylsilyl)acetylene) 、 5,5'-双三甲基硅乙炔基-2,2'-联吡啶 以 氘代苯 为溶剂， 生成 [(cyclopentadienyl)2Zr(5,5'-bis(trimethylsilylalkynyl)-2,2'-bipyridine)]
  参考文献：
  名称：

  New Zirconocene-Coupling Route to Large, Functionalized Macrocycles

  摘要：

  The development of a new macrocyclization reagent, Rosenthal's Cp2Zr(pyr)(Me3SiC drop CSiMe3), has allowed the preparation of two large, functionalized macrocycles. The diyne 5,5'-bis(4-trimethylsilylphenyl)-2,2'-bipyridine was trimerized to the bipyridine-containing macrocycle 5, and 1,4-bis(4-(trimethylsilyl)ethynylphenyl)-2,3-diphenyl-1,4-diazabuta-1,3-diene was dimerized to macrocycle 6. Both zirconocene-containing macrocycles were characterized by single-crystal X-ray diffraction. Macrocycle 5, which is cleanly converted to air-stable cyclophane 7 with benzoic acid, has a cavity of van der Waals radius 6.03 Angstrom. In general, the Cp2Zr(pyr)(Me3SiC drop CSiMe3) reagent gives higher yields of macrocycles via the coupling of diynes than does the reagent generated by addition of n-BuLi to Cp2ZrCl2.

  DOI：

  10.1021/ja0020310