3-(4-chlorophenyl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-7-methyl-6,7-dihydro-1H-indol-4(5H)-one | 1610967-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-(4-chlorophenyl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-7-methyl-6,7-dihydro-1H-indol-4(5H)-one
• 英文别名: 3-(4-chlorophenyl)-5,6-bis(1,3-dithiolan-2-ylidene)-7-hydroxy-7-methyl-1H-indol-4-one
• CAS: 1610967-03-7
• 化学式: C₂₁H₁₈ClNO₂S₄
• 分子量: 480.096
• InChiKey: PHFGRFDWFVVVHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 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 、 (E)-7-(4-chlorophenyl)-3,4-di(1,3-dithiolan-2-ylidene)hept-6-ene-2,5-dione 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到3-(4-chlorophenyl)-5,6-di(1,3-dithiolan-2-ylidene)-7-hydroxy-7-methyl-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.