| 1308327-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1308327-93-6
• 化学式: C₂F₆NO₄S₂*C₁₄H₁₅N₂O₃
• 分子量: 539.433
• InChiKey: FGLFTEZVXDHLBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  134.56
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 丙酮 在 L-脯氨酸 作用下， 反应 12.0h， 以93%的产率得到
  参考文献：
  名称：

  Ionic liquid-phase organic synthesis (IoLiPOS) methodology applied to cross aldol reaction

  摘要：

  Cross aldol reaction in task-specific ionic liquids was developed. Ionic liquid-phase bound aldehyde reacted with various ketones (acetone, cyclopentanone, and butan-2-one) with L-proline as catalyst to afford various ionic liquid-phase supported aldols in yields ranging from 81 to 99%. Detachment of the aldol in MeOH was realized by transesterification using 15% of MeONa. The structure of intermediates in each step was verified by spectroscopic analysis.

  DOI：

  10.1134/s1070428011030079
• 作为产物：
  描述：

  对醛基苯甲酸 、 1-羟乙基-3-甲基咪唑双(三氟甲烷磺酰)亚胺盐 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以96%的产率得到
  参考文献：
  名称：

  Ionic liquid-phase organic synthesis (IoLiPOS) methodology applied to cross aldol reaction

  摘要：

  Cross aldol reaction in task-specific ionic liquids was developed. Ionic liquid-phase bound aldehyde reacted with various ketones (acetone, cyclopentanone, and butan-2-one) with L-proline as catalyst to afford various ionic liquid-phase supported aldols in yields ranging from 81 to 99%. Detachment of the aldol in MeOH was realized by transesterification using 15% of MeONa. The structure of intermediates in each step was verified by spectroscopic analysis.

  DOI：

  10.1134/s1070428011030079