2,3,4,6,7,8-hexahydro-7-methyl-7-(4-methyl-3-penten-1-yl)-1-trifluoroacetyl-5(1H)-quinolinone | 1454286-96-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,4,6,7,8-hexahydro-7-methyl-7-(4-methyl-3-penten-1-yl)-1-trifluoroacetyl-5(1H)-quinolinone
• 英文别名: (7R)-7-methyl-7-(4-methylpent-3-enyl)-1-(2,2,2-trifluoroacetyl)-3,4,6,8-tetrahydro-2H-quinolin-5-one
• CAS: 1454286-96-4
• 化学式: C₁₈H₂₄F₃NO₂
• 分子量: 343.389
• InChiKey: KOYGFXUZQCPFKK-QGZVFWFLSA-N

物化性质

• 沸点：
  403.2±45.0 °C(predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3,4,6,7,8-hexahydro-7-methyl-7-(4-methyl-3-penten-1-yl)-1-trifluoroacetyl-5(1H)-quinolinone 、 manganese triacetate 以 苯 为溶剂， 反应 132.0h， 以61%的产率得到(±)-(5aR,6S,8aR)-2,3,4,5a,7,8,8a,9-Octahydro-8a-methyl-6-(1-methylethenyl)-1-trifluoroacetyl-6H-cyclopenta[g]quinolin-5(1H)-one
  参考文献：
  名称：

  Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides

  摘要：

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.

  DOI：

  10.3987/com-12-s(n)95
• 作为产物：
  描述：

  2,3,4,6,7,8-hexahydro-7-methyl-7-(4-methyl-3-penten-1-yl)-5(1H)-quinolinone 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以93%的产率得到2,3,4,6,7,8-hexahydro-7-methyl-7-(4-methyl-3-penten-1-yl)-1-trifluoroacetyl-5(1H)-quinolinone
  参考文献：
  名称：

  Mn(OAc)3-Based α’-Oxidative Acetoxylation of N-Trifluoroacetyl Vinylogous Amides

  摘要：

  Vinylogous amides 1 and 11 are oxidized by dried Mn(OAc)(3) in benzene at 90 degrees C to pyridines 5 and 12, respectively, whereas the analogous N-trifluoroacetyl vinylogous amides 6 and 13 are oxidized by dried Mn(OAc)(3) in benzene at 120 degrees C to give acetates 7 and 14. The alpha'-oxo radicals that are generated in this oxidation cyclize to proximal double bonds to give tricylic alkenes such as 20.

  DOI：

  10.3987/com-12-s(n)95