1,3-bis(4-methyl-5-isopropylimino)-isoindoline | 945735-70-6

• 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: 1,3-bis(4-methyl-5-isopropylimino)-isoindoline
• 英文别名: H(iPrbti)；1-N,3-N-bis(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)isoindole-1,3-diimine
• CAS: 945735-70-6
• 化学式: C₂₂H₂₅N₅S₂
• 分子量: 423.606
• InChiKey: STKKHHSIXGNFIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  palladium diacetate 、 1,3-bis(4-methyl-5-isopropylimino)-isoindoline 以 甲醇 为溶剂， 以77%的产率得到acetato(1,3-bis(4-methyl-5-isopropylimino)-isoindolinato)palladium(II)
  参考文献：
  名称：

  Palladium complexes of sterically hindered meridonal tridentate NNN ligands

  摘要：

  Acetatopalladium(II) complexes of two new 1,3-bis(arylimino)isoindoline ligands H(bai), 1,3-bis(3,6-dimethylpyridylimino)-alpha,alpha'-dimethoxyisoindoline H(3,6-MepMeOi) (5) and 1,3-bis(4-methyl-5-isopropylthiazolylimino)isoindoline H(iPrbti) (6) have been prepared from commercial precursors and palladium(II)acetate in 4 and 3 steps, respectively. The new complexes 7 and 8 were characterized by H-1 and C-13 NMR spectroscopy and mass spectrometry and could be further investigated by single crystal X-ray diffraction studies. The molecular structures of 7 x 2 CHCl3 and of 8 show differences in the conformational fine-tuning and unravel a higher degree of similarity with related tripyrrinates for the bti derivative 8 than for the bpi species 7. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.03.056