N-tert-butyl-3-(4-methoxyphenyl)prop-2-enamide | 23784-78-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: N-tert-butyl-3-(4-methoxyphenyl)prop-2-enamide
• CAS: 23784-78-3
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: WHXVHDCAWJBNOC-UHFFFAOYSA-N

物化性质

• 沸点：
  421.3±37.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-叔丁基丙烯酰胺 、 4-甲氧基苯硼酸 在 C₁₆H₁₄N₂O₄Pd 、 silver(I) acetate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 6.0h， 以66%的产率得到N-tert-butyl-3-(4-methoxyphenyl)prop-2-enamide
  参考文献：
  名称：

  Synthesis, characterization of palladium hydroxysalen complex and its application in the coupling reaction of arylboronic acids: Mizoroki–Heck type reaction and decarboxylative couplings

  摘要：

  (Salen-OH)Pd (1, salen-OH=N,N'-bis(3,5-di-hydroxysalicylidene)-ethylenediamine) was prepared by a simple one step reaction and fully characterized by H-1 and C-13 NMR, IR spectroscopy, and X-ray crystallography. This palladium complex showed good activities as a catalyst in the Mizoroki-Heck-type reaction and the decarboxylative coupling reaction. In the Mizoroki-Heck type reaction, arylboronic acids and alkenes were reacted at 90 degrees C for 3 h in the presence of 2.0 mol% of the palladium complex 1 and AgOAc to give the desired coupled product in good yields. In the decarboxylative coupling reactions, the desired coupled products were obtained in good yields when 0.5 mol% of the palladium complex was employed at room temperature. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.05.013

文献信息

• Synthesis, characterization of palladium hydroxysalen complex and its application in the coupling reaction of arylboronic acids: Mizoroki–Heck type reaction and decarboxylative couplings
  作者：Yumi Heo、Yi Young Kang、Thiruvengadam Palani、Junseong Lee、Sunwoo Lee

  DOI：10.1016/j.inoche.2012.05.013

  日期：2012.9

  (Salen-OH)Pd (1, salen-OH=N,N'-bis(3,5-di-hydroxysalicylidene)-ethylenediamine) was prepared by a simple one step reaction and fully characterized by H-1 and C-13 NMR, IR spectroscopy, and X-ray crystallography. This palladium complex showed good activities as a catalyst in the Mizoroki-Heck-type reaction and the decarboxylative coupling reaction. In the Mizoroki-Heck type reaction, arylboronic acids and alkenes were reacted at 90 degrees C for 3 h in the presence of 2.0 mol% of the palladium complex 1 and AgOAc to give the desired coupled product in good yields. In the decarboxylative coupling reactions, the desired coupled products were obtained in good yields when 0.5 mol% of the palladium complex was employed at room temperature. (C) 2012 Elsevier B.V. All rights reserved.