[Zn(3-iminoisoindolin-1-one)2(acetato)2] | 1166841-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: [Zn(3-iminoisoindolin-1-one)2(acetato)2]
• CAS: 1166841-49-1
• 化学式: C₂₀H₁₈N₄O₆Zn
• 分子量: 475.776
• InChiKey: AYSDMLMDZGGWPO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  zinc(II) acetate dihydrate 、 3-亚氨基异吲哚啉酮 以 further solvent(s) 为溶剂， 以90%的产率得到[Zn(3-iminoisoindolin-1-one)2(acetato)2]
  参考文献：
  名称：

  The first metal complexes bearing ligated 3-iminoisoindolin-1-ones

  摘要：

  The reaction between Zn(OAc)(2) center dot 2H(2)O (1) and the 3-iminoisoindolin-1-ones H2N=CNC(=O)(C6RRRR4)-R-1-R-2-R-3 (R-1-R-4 = H 2; R-1, R-4 = H, R-2, R-3 = Cl 3; R-1, R-3, R-4 = H, R-2 = Me 4) in EtCN at 70 degrees C for ca. 12 h affords the novel family of complexes [Zn{H2N=CNC(=O) C6R1R2R3R4}(2)(OAc)(2)] (R-1 - R-4 = H 5; R-1, R-4 = H, R-2, R-3 = Cl 6; R-1, R-3, R-4 = H, R-2 = Me 7) in excellent (90% and 93% for 5 and 6, correspondingly) to good (64% for 7) yields. The isolated compounds were characterized by elemental analyses (C, H, N), IR, NMR and ESI+-MS. X-ray diffraction data for 2 and 5 indicate that both free (2) and ligated (5) 3-iminoisoindolin-1-ones exist in the zwitterionic form. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.01.033