1-{2,6-bis[(E)-2-(cyclohexyloxycarbonyl)ethenyl]phenyl}-1H-pyrazole | 1187529-46-9

• 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: 1-{2,6-bis[(E)-2-(cyclohexyloxycarbonyl)ethenyl]phenyl}-1H-pyrazole
• 英文别名: cyclohexyl (E)-3-[3-[(E)-3-cyclohexyloxy-3-oxoprop-1-enyl]-2-pyrazol-1-ylphenyl]prop-2-enoate
• CAS: 1187529-46-9
• 化学式: C₂₇H₃₂N₂O₄
• 分子量: 448.562
• InChiKey: DRMXDVQDJFVFIO-YTEMWHBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-{2,6-bis[(Z)-2-(cyclohexyloxycarbonyl)ethenyl]phenyl}-1H-pyrazole 在 二(氰基苯)二氯化钯 作用下， 以 均三甲苯 为溶剂， 反应 15.0h， 生成 1-{2,6-bis[(E)-2-(cyclohexyloxycarbonyl)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

• Ruthenium-catalyzed Oxidative Alkenylation of Arenes via Regioselective C–H Bond Cleavage Directed by a Nitrogen-containing Group
  作者：Yuto Hashimoto、Takumi Ueyama、Tatsuya Fukutani、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1246/cl.2011.1165

  日期：2011.10.5

  Direct alkenylation of 1-phenylpyrazoles with alkenes such as acrylates accompanied by regioselective C–H bond cleavage proceeds efficiently under ruthenium catalysis in the presence of a copper oxidant. The procedure is also applicable to 2-phenylbenzothiazole and benzanilide.

  在铜氧化剂存在下，1-苯基吡唑与烯（如丙烯酸酯）的直接烯化反应伴随着区域选择性 C-H 键裂解在钌催化下高效进行。该过程也适用于 2-苯基苯并噻唑和苯并苯胺。
• 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.