(E)-butyl 3-(3-(butylcarbamoyl)-2-methylpyridin-4-yl)acrylate | 1610422-19-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-butyl 3-(3-(butylcarbamoyl)-2-methylpyridin-4-yl)acrylate
• CAS: 1610422-19-9
• 化学式: C₁₈H₂₆N₂O₃
• 分子量: 318.416
• InChiKey: QONYJAUVWJJERM-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.29
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-butyl 3-(3-(butylcarbamoyl)-2-methylpyridin-4-yl)acrylate 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 作用下， 以 甲苯 为溶剂， 以91%的产率得到(E)-butyl 2-(2-butyl-4-methyl-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ylidene)acetate
  参考文献：
  名称：

  Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C–H Activation

  摘要：

  Rh(III)-catalyzed cascade oxidative alkenylation/cyclization of picolinamides and alkenes to furnish pyrido pyrrolone derivatives is described, in which three C-H bonds and one N-H bond broke, while one C-C bond and one C-N bond formed. The reaction proceeded with high yield and high regioselectivity and stereoselectivity. Moreover, copper acetate can also be used in catalytic amounts with O-2 serving as the terminal oxidant.

  DOI：

  10.1021/ol501275r
• 作为产物：
  描述：

  2-甲基烟酰氯 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 29.0h， 生成 (E)-butyl 3-(3-(butylcarbamoyl)-2-methylpyridin-4-yl)acrylate
  参考文献：
  名称：

  Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C–H Activation

  摘要：

  Rh(III)-catalyzed cascade oxidative alkenylation/cyclization of picolinamides and alkenes to furnish pyrido pyrrolone derivatives is described, in which three C-H bonds and one N-H bond broke, while one C-C bond and one C-N bond formed. The reaction proceeded with high yield and high regioselectivity and stereoselectivity. Moreover, copper acetate can also be used in catalytic amounts with O-2 serving as the terminal oxidant.

  DOI：

  10.1021/ol501275r