Ethyl 4,4-dicyano-3-(2,6-dimethylphenyl)imino-1'-methyl-5'-nitro-2'-oxospiro[cyclopentene-5,3'-indole]-1-carboxylate | 1414857-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Ethyl 4,4-dicyano-3-(2,6-dimethylphenyl)imino-1'-methyl-5'-nitro-2'-oxospiro[cyclopentene-5,3'-indole]-1-carboxylate
• CAS: 1414857-29-6
• 化学式: C₂₆H₂₁N₅O₅
• 分子量: 483.483
• InChiKey: ICXULHPYRIOLLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(2,6-二甲基苯)甲酰胺 在 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 18.0h， 生成 Ethyl 4,4-dicyano-3-(2,6-dimethylphenyl)imino-1'-methyl-5'-nitro-2'-oxospiro[cyclopentene-5,3'-indole]-1-carboxylate
  参考文献：
  名称：

  Isocyanide-Based Multicomponent [2+2+1]-Cycloaddition Strategy to Construct Functionalized Spirocyclic Oxindoles

  摘要：

  Isocyanide-based three-component [2+2+1]-cycloaddition reactions from isocyanides, activated alkynes, and isatylidene malononitriles were investigated to provide a new access to spirocyclic oxindole with five-membered carbon rings. The displacement of isatylidene malononitrile with oxindolylideneacetate essentially results in opposite regioselectivity, which adds to its attractiveness.

  DOI：

  10.1055/s-0032-1317030

文献信息

• Isocyanide-Based Multicomponent [2+2+1]-Cycloaddition Strategy to Construct Functionalized Spirocyclic Oxindoles
  作者：Jian Li、Xueshun Jia、Haohua Jie、Chunju Li

  DOI：10.1055/s-0032-1317030

  日期：——

  Isocyanide-based three-component [2+2+1]-cycloaddition reactions from isocyanides, activated alkynes, and isatylidene malononitriles were investigated to provide a new access to spirocyclic oxindole with five-membered carbon rings. The displacement of isatylidene malononitrile with oxindolylideneacetate essentially results in opposite regioselectivity, which adds to its attractiveness.