dimethyl 2,6-bis(heptafluoropropyl)-2,6-dihydroxy-4-(4-nitrophenyl)tetrahydro-2H-pyran-3,5-dicarboxylate | 1235453-01-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl 2,6-bis(heptafluoropropyl)-2,6-dihydroxy-4-(4-nitrophenyl)tetrahydro-2H-pyran-3,5-dicarboxylate
• CAS: 1235453-01-6
• 化学式: C₂₁H₁₅F₁₄NO₉
• 分子量: 691.329
• InChiKey: FAAUAEJIULGPTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  45.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  145.43
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  对硝基苯甲醛 、 Methyl 4,4,5,5,6,6,6-heptafluoro-3-oxohexanoate 在 potassium carbonate 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 反应 7.0h， 以80%的产率得到dimethyl 2,6-bis(heptafluoropropyl)-2,6-dihydroxy-4-(4-nitrophenyl)tetrahydro-2H-pyran-3,5-dicarboxylate
  参考文献：
  名称：

  Synthesis of 2,6-bis(fluoroalkyl)-2,6-dihydroxytetrahydro-2H-pyran-3,5-dicarboxylates from aldehydes and fluorinated β-oxo esters in the presence of ionic liquid-K2CO3 as catalytic system

  摘要：

  An efficient procedure has been developed for the synthesis of 4-substituted 2,6-bis(fluoroalkyl)-2,6-dihydroxytetrahydro-2H-pyran-3,5-dicarboxylates by reactions of aldehydes with fluorine-containing beta-oxo esters in heterogeneous catalytic system 1-butyl-3-methylimidazolium tetrafluoroborate [bmim][BF4]-K2CO3 activated by ultrasound. The system retains its catalytic activity for three reaction cycles.

  DOI：

  10.1134/s1070428010040020