[((N,N,N',N'-tetramethylethylenediamine)LiZn(NMe2)3)2] | 1084908-41-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [((N,N,N',N'-tetramethylethylenediamine)LiZn(NMe2)3)2]
• 英文别名: dilithium;dizinc;dimethylazanide;N,N,N',N'-tetramethylethane-1,2-diamine
• CAS: 1084908-41-7
• 化学式: C₂₄H₆₈Li₂N₁₀Zn₂
• 分子量: 641.533
• InChiKey: STRFMSZWLDJCEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.06
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  19
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  四甲基乙二胺 、 lithium dimethylamide 、 zinc(II) chloride 以 乙醚 、 正己烷 为溶剂， 以38%的产率得到[((N,N,N',N'-tetramethylethylenediamine)LiZn(NMe2)3)2]
  参考文献：
  名称：

  Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates

  摘要：

  The solution and solid-state characterization of the tetraorganozincates [(TMEDA)(2)Li2ZnMe(NMe2)(3)] (2) and [(TMEDA)(2)Li2ZnMe4] (4) and the all-amido triorganozincate [{(TMEDA)LiZn(NMe2)(3)}(2)] (3) are reported. X-ray crystallographic studies reveal that 2 and 4 exhibit similar structural motifs, namely trinuclear Li center dot center dot center dot Zn center dot center dot center dot Li chain arrangements held together by a methyl and three amido ligands in the former and exclusively by methyl groups in the latter, whereas 3 adopts a longer tetranuclear Li center dot center dot center dot Zn center dot center dot center dot Zn center dot center dot center dot Li chain arrangement with all Me-2 ligands. The zinc coordination in all these structures is distorted tetrahedral. DFT calculations revealed that the formation of tetraorganozincate 4 by cocomplexation of 2 equiv of MeLi and Me2Zn is thermodynamically preferred over the parent triorganozincate [(TMEDA)LiZnMe3]. Preliminary studies show that the tris(amido)alkyl zincate 2 is a poor Bronsted base for metalation (zincation) of functionalized aromatic substrates such as anisole, N,N-diisopropylbenzamide, and benzonitrile.

  DOI：

  10.1021/om800786n