(E)-3-(2-(溴甲基)苯基)丙烯酰氯 | 342777-09-7

• 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
• 中文名称: (E)-3-(2-(溴甲基)苯基)丙烯酰氯
• 英文名称: (E)-3-[2-(bromomethyl)phenyl]prop-2-enoyl chloride
• CAS: 342777-09-7
• 化学式: C₁₀H₈BrClO
• 分子量: 259.53
• InChiKey: PTPURRXVIYMPKH-AATRIKPKSA-N

物化性质

• 沸点：
  334.9±22.0 °C(Predicted)
• 密度：
  1.541±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4-二氯苯硼酸 、 (E)-3-(2-(溴甲基)苯基)丙烯酰氯 在 N,N-二异丙基乙胺 、 Wang resin 、 四(三苯基膦)钯 、 cesium fluoride 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙二醇二甲醚 为溶剂， 反应 10.17h， 生成 (E)-3-[2-(3,4-dichlorobenzyl)phenyl]-2-propenoic 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
• 作为产物：
  描述：

  ethyl (E)-2-(bromomethyl)cinnamate 在 草酰氯 、 氢溴酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 (E)-3-(2-(溴甲基)苯基)丙烯酰氯
  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

• 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.