bis(methylcyclopentadienyl)zinc | 122499-73-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(methylcyclopentadienyl)zinc
• CAS: 122499-73-4
• 化学式: C₁₂H₁₂Zn
• 分子量: 221.617
• InChiKey: NOXPJIXDAKQEDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  2-甲基环戊并-1,3-二烯 、 zinc(II) chloride 在 NaH 作用下， 以 四氢呋喃 为溶剂， 生成 bis(methylcyclopentadienyl)zinc
  参考文献：
  名称：

  Spontaneous resolution of a bis(η1-methylcyclopentadienyl)zinc complex

  摘要：

  Two crystalline complexes of bis(eta(1)-methylcyclopentadienyl)zinc, [Zn(C5H4Me)(2)(py)(2)] (1), where py is pyridine, and [Zn(C5H4Me)(2)(teeda)], 2, where teeda is N,N,N',N'-tetraethylethylenediamine have been isolated. The crystal structures of 1 and 2 are the first crystal structures for Zn(C5H4Me)(2) complexes reported in the literature; both structures display eta(1)-coordination of the methylcyclopentadienyl ring to zinc, and both compounds display chirogenic alpha-carbon atoms. While 1 forms racemic crystals, 2 undergoes spontaneous resolution and crystals of 2 are thus enantiomerically pure. H-1 NMR showed that Zn(C5H4Me)(2) is stereochemically labile in solution with only one signal for the Cp-protons. This fact opens up the possibility for total spontaneous resolution and absolute asymmetric synthesis. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.08.019