3-Ethanimidoyliminoisoindol-1-olate;nickel(2+) | 929115-86-6

• 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: 3-Ethanimidoyliminoisoindol-1-olate;nickel(2+)
• CAS: 929115-86-6
• 化学式: C₂₀H₁₆N₆NiO₂
• 分子量: 431.076
• InChiKey: SRKIBBVAUSNDJW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  nickel(II) acetate tetrahydrate 、 3-亚氨基异吲哚啉酮 、 乙腈 在 triethanolamine 作用下， 以 乙腈 为溶剂， 以50%的产率得到3-Ethanimidoyliminoisoindol-1-olate;nickel(2+)
  参考文献：
  名称：

  Ni^II-Mediated Coupling between Iminoisoindolinones and Nitriles Leading to Unsymmetrical 1,3,5-Triazapentadienato Complexes

  摘要：

  Treatment of nickel acetate Ni(OAc)(2)center dot 4H(2)O With 2 equiv of various 3-iminoisoindolin-1-ones in a suspension of RCN in the presence of triethanolamine leads to the formation of the nickel 1,3,5-triazapentadienato complexes [Ni(NH=C(R)N=C((C6RRRRCON)-R-1-R-2-R-3-C-4)}(2)] (1-17) isolated in good 50-83% yields. The reaction proceeds under relatively mild conditions (from 5 to 7 h at 25-115 degrees C, depending on the boiling point of the nitrile) and has a general character insofar as it was successfully conducted with various nitriles RCN bearing donor (R = Me, Et, Pr-n, Pr-i, Bun), weak donor (R = CH2Ph, CH2C6H4OMe-p), acceptor (R = CH2Cl, and strong acceptor (R = CCl3) groups R of different steric hindrance and also with the nonsubstituted iminoisoindolinone (3-iminoisoindolin-1-one) or the iminoisoindolinones bearing donor methyl (3-imino-5-methylisoindolin-1-one) or acceptor fluoro (4,5,6,7-tetrafluoro3-iminoisoindolin-1-one) groups in the benzene ring.

  DOI：

  10.1021/ic702131k