| 1415632-41-5

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 1415632-41-5
• 化学式: C₂₈H₂₈N₄O₆Zn
• 分子量: 581.944
• InChiKey: QQJUCHWPRZKILW-UBKHYGEISA-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：

  N,N'-bis(3-tert-butyl-5-nitrosalicylidene)-1,2-phenylenediimine 、 水 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 反应 6.0h， 以97%的产率得到
  参考文献：
  名称：

  Zn‐Mediated Synthesis of 3‐Substituted Indoles Using a Three‐Component Reaction Approach

  摘要：

  AbstractThe synthesis of 3‐substituted indoles was investigated through a multicomponent reaction (MCR) approach by using aldehydes, indole and malononitrile as the reagents. The reaction was catalyzed by Lewis acidic Zn(salphen) complexes and their performance was compared with a number of other ZnII structures and M(salphen)s, which showed the Zn(salphen)s to be superior. However, the complex nature of this three‐component reaction (3‐CR) results in substantial byproduct formation that arises from the intermediate benzylidene malononitrile species. The 3‐CR was studied in detail that covered the influence of the base, solvent, reagent stoichiometry and also involved stability studies. The results led to a mechanistic proposal in which the benzylidene malononitrile intermediate plays a central role; it is one of the major species that is formed in most of the catalytic reactions studied. Furthermore, it provided a prelude for the in situ reaction with the malononitrile reagent, which most probably affords a complex mixture of N‐containing heterocycles.

  DOI：

  10.1002/ejic.201200150
• 作为试剂：
  描述：

  吲哚 、 3,5-dibromobenzylidenemalononitrile 在 C₂₈H₂₈N₄O₆Zn 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以54%的产率得到
  参考文献：
  名称：

  Zn‐Mediated Synthesis of 3‐Substituted Indoles Using a Three‐Component Reaction Approach

  摘要：

  AbstractThe synthesis of 3‐substituted indoles was investigated through a multicomponent reaction (MCR) approach by using aldehydes, indole and malononitrile as the reagents. The reaction was catalyzed by Lewis acidic Zn(salphen) complexes and their performance was compared with a number of other ZnII structures and M(salphen)s, which showed the Zn(salphen)s to be superior. However, the complex nature of this three‐component reaction (3‐CR) results in substantial byproduct formation that arises from the intermediate benzylidene malononitrile species. The 3‐CR was studied in detail that covered the influence of the base, solvent, reagent stoichiometry and also involved stability studies. The results led to a mechanistic proposal in which the benzylidene malononitrile intermediate plays a central role; it is one of the major species that is formed in most of the catalytic reactions studied. Furthermore, it provided a prelude for the in situ reaction with the malononitrile reagent, which most probably affords a complex mixture of N‐containing heterocycles.

  DOI：

  10.1002/ejic.201200150