disodium;dizinc;1-(2,4,6-trimethylphenyl)ethanone;1-(2,4,6-trimethylphenyl)ethenolate | 922149-17-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: disodium;dizinc;1-(2,4,6-trimethylphenyl)ethanone;1-(2,4,6-trimethylphenyl)ethenolate
• CAS: 922149-17-5
• 化学式: C₈₈H₁₀₆Na₂O₈Zn₂
• 分子量: 1468.56
• InChiKey: IJMUMWZKGJXGTR-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  11.29
• 重原子数：
  100
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  173
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  bis(bis(trimethylsilyl)amido)zinc(II) 、 2′,4′,6′-三甲基苯乙酮 、 sodium hexamethyldisilazane 以 正己烷 为溶剂， 以63%的产率得到disodium;dizinc;1-(2,4,6-trimethylphenyl)ethanone;1-(2,4,6-trimethylphenyl)ethenolate
  参考文献：
  名称：

  Synthesis of Mixed Alkali-Metal−Zinc Enolate Complexes Derived from 2,4,6-Trimethylacetophenone:  New Inverse Crown Structures

  摘要：

  The solution and solid-state characterization of two new mixed alkali-metal-zinc enolate compounds is reported. These compounds are prepared by reaction of the relevant mixed-metal base [MZn(HMDS)(3)] (M = Na, K; HMDS = 1,1,1,3,3,3-hexamethyldisilazide) with a stoichiometric amount of the sterically demanding ketone 2,4,6-trimethylacetophenone. Thus, the new mixed-metal enolate compounds [Na2Zn2{OC(CH2)Mes}(6){OC(CH3)Mes}(2)] (2) and [K2Zn2{OC(CH2)Mes}(6)(CH3Ph)(2)] (3) are obtained for M = Na, K, respectively. X-ray crystallographic studies reveal that both compounds adopt the same structural motif, which define them as inverse crown complexes, a cationic eight-membered [(MOZnO)(2)](2+) ring which hosts in its core two additional enolate ligands. Each Zn center is bonded to four anionic enolate ligands framing the structure, whereas the alkali metals form much weaker interactions with the oxygen atoms and complete their coodination sphere by bonding to a neutral molecule, an unenolised ketone for M = Na or toluene for M = K.

  DOI：

  10.1021/om060878k