1-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl}-1H-pyrazole | 1187529-51-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl}-1H-pyrazole
• 英文别名: 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]pyrazole
• CAS: 1187529-51-6
• 化学式: C₂₆H₂₁ClN₂O
• 分子量: 412.919
• InChiKey: KRVCMXRMDDUMNK-PWHKKFIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氯苯乙烯 、 4-甲氧基苯乙烯 、 1-苯基吡唑 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper(II) acetate monohydrate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以55%的产率得到1-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl}-1H-pyrazole
  参考文献：
  名称：

  Rhodium-Catalyzed Mono- and Divinylation of 1-Phenylpyrazoles and Related Compounds via Regioselective C−H Bond Cleavage

  摘要：

  The selective 2-mono- and 2,6-divinylations of (N-containing heteroaryl)benzenes can be achieved effectively through rhodium-catalyzed oxidative coupling reactions with alkenes. The installation of two different vinyl groups is also possible by a simple one-pot manner. Thus, a series of 1,3-divinylbenzene derivatives, some of which exhibit solid-state fluorescence, is readily prepared.

  DOI：

  10.1021/jo901485v

文献信息

• Rhodium-Catalyzed Mono- and Divinylation of 1-Phenylpyrazoles and Related Compounds via Regioselective C−H Bond Cleavage
  作者：Nobuyoshi Umeda、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/jo901485v

  日期：2009.9.18

  The selective 2-mono- and 2,6-divinylations of (N-containing heteroaryl)benzenes can be achieved effectively through rhodium-catalyzed oxidative coupling reactions with alkenes. The installation of two different vinyl groups is also possible by a simple one-pot manner. Thus, a series of 1,3-divinylbenzene derivatives, some of which exhibit solid-state fluorescence, is readily prepared.