(E)-3-tert-butyl-7-(3,3-dimethylbut-1-en-1-yl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-6,7-dihydro-1H-indol-4(5H)-one | 1610967-02-6

• 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: (E)-3-tert-butyl-7-(3,3-dimethylbut-1-en-1-yl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-6,7-dihydro-1H-indol-4(5H)-one
• 英文别名: 3-tert-butyl-7-[(E)-3,3-dimethylbut-1-enyl]-5,6-bis(1,3-dithiolan-2-ylidene)-7-hydroxy-1H-indol-4-one
• CAS: 1610967-02-6
• 化学式: C₂₄H₃₁NO₂S₄
• 分子量: 493.78
• InChiKey: ILQFRBNVSXIFJE-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对甲基苯磺酰甲基异腈 、 (3E,9E)-6,7-di(1,3-dithiolan-2-ylidene)-2,2,11,11-tetramethyldodeca-3,9-diene-5,8-dione 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到(E)-3-tert-butyl-7-(3,3-dimethylbut-1-en-1-yl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-6,7-dihydro-1H-indol-4(5H)-one
  参考文献：
  名称：

  Bicyclization of Isocyanides with Alkenoyl Bis(ketene dithioacetals): Access to 6,7-Dihydro-1H-indol-4(5H)-ones

  摘要：

  The tandem [3 + 2] cycloaddition/intramolecular imidoyl anion trapping strategy has been successfully applied for the synthesis of 6,7-dihydro-1H-indol-4(5H)-ones from alkenoyl bis(ketene dithioacetals) and tosylmethyl isocyanide. The reaction proceeded smoothly under mild reaction conditions to afford bicyclization products in high to excellent yields in a single step.

  DOI：

  10.1021/jo500928c

文献信息

• Bicyclization of Isocyanides with Alkenoyl Bis(ketene dithioacetals): Access to 6,7-Dihydro-1<i>H</i>-indol-4(5<i>H</i>)-ones
  作者：Yifei Li、Xianxiu Xu、Hui Shi、Ling Pan、Qun Liu

  DOI：10.1021/jo500928c

  日期：2014.6.20

  The tandem [3 + 2] cycloaddition/intramolecular imidoyl anion trapping strategy has been successfully applied for the synthesis of 6,7-dihydro-1H-indol-4(5H)-ones from alkenoyl bis(ketene dithioacetals) and tosylmethyl isocyanide. The reaction proceeded smoothly under mild reaction conditions to afford bicyclization products in high to excellent yields in a single step.