(E)-3-(2-(3-chlorobenzyl)phenyl)acrylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-3-(2-(3-chlorobenzyl)phenyl)acrylic acid
• 英文别名: (E)-3-[2-[(3-chlorophenyl)methyl]phenyl]prop-2-enoic acid
• 化学式: C₁₆H₁₃ClO₂
• 分子量: 272.731
• InChiKey: TUERIEUJLXSRBK-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl (E)-2-(bromomethyl)cinnamate 在 草酰氯 、 氢溴酸 、 溶剂黄146 、 N,N-二异丙基乙胺 、 Wang resin 作用下， 以 二氯甲烷 为溶剂， 反应 10.17h， 生成 (E)-3-(2-(3-chlorobenzyl)phenyl)acrylic acid
  参考文献：
  名称：

  Structure–activity relationship on the human EP3 prostanoid receptor by use of solid-support chemistry

  摘要：

  Potent and selective EP3 receptor ligands were found by making a library using solid-support chemistry. These compounds can be obtained by a Suzuki coupling reaction of a solid-supported benzyl bromide using various boronic acids. The yields obtained for this reaction were in the range of 24-95% of arylmethyl cinnamic acid 1 after cleavage from the Wang resin. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00056-7

文献信息

• Three-Component Coupling of Benzyne:  Domino Intermolecular Carbopalladation
  作者：Jaclyn L. Henderson、Andrew S. Edwards、Michael F. Greaney

  DOI：10.1021/ja0615526

  日期：2006.6.1

  A new three-component coupling reaction of benzyne is described that uses two intermolecular carbopalladation reactions to produce 1,2-functionalized benzene derivatives.

  介绍了一种新的三组分苯偶合反应，该反应使用两个分子间碳钯化反应来生产 1,2-官能化苯衍生物。
• Structure–activity relationship on the human EP3 prostanoid receptor by use of solid-support chemistry
  作者：Hélène Juteau、Yves Gareau、Marc Labelle、Sonia Lamontagne、Nathalie Tremblay、Marie-Claude Carrière、Nicole Sawyer、Danielle Denis、Kathleen M. Metters

  DOI：10.1016/s0960-894x(01)00056-7

  日期：2001.3

  Potent and selective EP3 receptor ligands were found by making a library using solid-support chemistry. These compounds can be obtained by a Suzuki coupling reaction of a solid-supported benzyl bromide using various boronic acids. The yields obtained for this reaction were in the range of 24-95% of arylmethyl cinnamic acid 1 after cleavage from the Wang resin. (C) 2001 Published by Elsevier Science Ltd.