[{(PhCH₂)₂NC(NC₆H₁₁)2}ZnEt]₂ | 1443357-61-6

• 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: [{(PhCH₂)₂NC(NC₆H₁₁)2}ZnEt]₂
• 英文别名: dizinc;cyclohexyl-(N,N-dibenzyl-N'-cyclohexylcarbamimidoyl)azanide;ethane
• CAS: 1443357-61-6
• 化学式: C₅₈H₈₂N₆Zn₂
• 分子量: 994.109
• InChiKey: KBDVYUPLYMXQES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.84
• 重原子数：
  66
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [{(PhCH₂)₂NC(NC₆H₁₁)2Zn}₂(μ-{(PhCH₂)₂NC(NC₆H₁₁)₂}₂)(μ-N-(PhCH₂)₂)] 在 diethylzinc 、 N,N'-二环己基碳二亚胺 作用下， 以 正己烷 为溶剂， 反应 8.0h， 以65%的产率得到[{(PhCH₂)₂NC(NC₆H₁₁)2}ZnEt]₂
  参考文献：
  名称：

  Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction

  摘要：

  Treatment of a secondary amine (pipH, Bz(2)NH, Et2NH) with sequentially diethylzinc and N,N'-dicyclohexylcarbodiimide in hexane has afforded in good yield the new crystalline guanidinatozinc complexes. Each has been X-ray and solution NMR spectrally characterized Three are dimeric (mono)guandinatozinc alkyls two are dinuclear (tris)guanidinatozinc amides, and one is a homoleptic zinc bis(guanidinate). The reactions of dinudear (tris)guanidinatozinc amides with diethylzinc and N,N'-dicyclohexylcarbodihnide in the molar ratios of 1:2:1 led to the dimeric (mono)guandinatozinc alkyls, homoleptic zinc bis(guanidinate) with an equimolar portion of diethylzinc also yielded dimeric (mono)guandinatozinc alkyls. Each of the complexes exhibited good to excellent catalytic activity for the solvent-free Tishchenko reaction under mild conditions.

  DOI：

  10.1021/om400345f