5,6-dimethyl-2-octyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

• 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: 5,6-dimethyl-2-octyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
• 英文别名: (3aR,7aS)-5,6-dimethyl-2-octyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
• 化学式: C₁₈H₂₉NO₂
• 分子量: 291.434
• InChiKey: QZKCIVBCIZEGFQ-IYBDPMFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-辛基吡咯-2,5-二酮 、 2,3-二甲基-1,3-丁二烯 在 全氟己烷 、 lithium perfluorooctane sulfonate 作用下， 以 水 为溶剂， 反应 6.0h， 以100%的产率得到5,6-dimethyl-2-octyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
  参考文献：
  名称：

  Rate Enhancement of Diels−Alder Reactions in Aqueous Perfluorinated Emulsions

  摘要：

  A marked acceleration property for the Diels-Alder reaction was observed in an aqueous micellar system composed of perfluorohexane and lithium perfluorooctanesulfonate. The reaction rate increased with the concentration of the equimolar mixture of PFH and LiFOS, and the rate in 500 mM PFH and 500 mM LiFOS was about 100-fold greater than that in water without the fluorous field. After completion of the reaction, the products were simply extracted from the aqueous reaction mixture using n-hexane.

  DOI：

  10.1021/ol0623116

文献信息

• Rate Enhancement of Diels−Alder Reactions in Aqueous Perfluorinated Emulsions
  作者：Kohsuke Nishimoto、Shokaku Kim、Yoshikazu Kitano、Masahiro Tada、Kazuhiro Chiba

  DOI：10.1021/ol0623116

  日期：2006.11.1

  A marked acceleration property for the Diels-Alder reaction was observed in an aqueous micellar system composed of perfluorohexane and lithium perfluorooctanesulfonate. The reaction rate increased with the concentration of the equimolar mixture of PFH and LiFOS, and the rate in 500 mM PFH and 500 mM LiFOS was about 100-fold greater than that in water without the fluorous field. After completion of the reaction, the products were simply extracted from the aqueous reaction mixture using n-hexane.