5,5,7,7-tetramethylpyrrolo[3,4-f]isoindole-1,3-diylideneamin-6-yloxyl | 943553-20-6

• 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: 5,5,7,7-tetramethylpyrrolo[3,4-f]isoindole-1,3-diylideneamin-6-yloxyl
• CAS: 943553-20-6
• 化学式: C₁₄H₁₇N₄O
• 分子量: 257.315
• InChiKey: CYDDHSOERSTCFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,5,7,7-tetramethylpyrrolo[3,4-f]isoindole-1,3-diylideneamin-6-yloxyl 在 magnesium di-n-butanolate 作用下， 以 正丁醇 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Synthesis of nitroxide-functionalized phthalocyanines

  摘要：

  A nitroxide-functionalized phthalonitrile and a diimino-isoindoline were prepared via Pd(0)-catalyzed cyanation from the corresponding dibromide and subsequent addition of ammonia, without interference from the radical moieties. The structures of these radicals were confirmed by single-crystal X-ray structure determinations. Metal-templated macrocyclization of these species under standard Linstead conditions or in 2-(dimethylamino)ethanol at reflux gave the corresponding metallated and free-base phthalocyanines, which were characterized using UV-vis, FTIR and EPR spectroscopy as well as mass spectrometry. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.170
• 作为产物：
  描述：

  5,6-dicyano-1,1,3,3-tetramethylisoindolin-2-yloxyl 在 氨 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 5,5,7,7-tetramethylpyrrolo[3,4-f]isoindole-1,3-diylideneamin-6-yloxyl
  参考文献：
  名称：

  Synthesis of nitroxide-functionalized phthalocyanines

  摘要：

  A nitroxide-functionalized phthalonitrile and a diimino-isoindoline were prepared via Pd(0)-catalyzed cyanation from the corresponding dibromide and subsequent addition of ammonia, without interference from the radical moieties. The structures of these radicals were confirmed by single-crystal X-ray structure determinations. Metal-templated macrocyclization of these species under standard Linstead conditions or in 2-(dimethylamino)ethanol at reflux gave the corresponding metallated and free-base phthalocyanines, which were characterized using UV-vis, FTIR and EPR spectroscopy as well as mass spectrometry. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.170