(E)-3-(4'-Methyl-biphenyl-4-yl)-acryloyl chloride | 190520-11-7

• 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-(4'-Methyl-biphenyl-4-yl)-acryloyl chloride
• CAS: 190520-11-7
• 化学式: C₁₆H₁₃ClO
• 分子量: 256.732
• InChiKey: LRMQACIEJUYFAE-IZZDOVSWSA-N

物化性质

• 沸点：
  401.7±24.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.44
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  3-氨基-4-甲氧基苯甲酸 、 (E)-3-(4'-Methyl-biphenyl-4-yl)-acryloyl chloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-Methoxy-3-[(E)-3-(4'-methyl-biphenyl-4-yl)-acryloylamino]-benzoic acid
  参考文献：
  名称：

  N-aryl cinnamides: A novel class of rigid and highly potent leukotriene B4 receptor antagonists

  摘要：

  A series of N-aryl cinnamides has been prepared and assayed for antagonism of the leukotriene B-4 receptor. Several compounds in this series were found to be highly potent antagonists of the human neutrophil receptor, based on a whole cell binding assay, as well as a neutrophil aggregration assay. This series is unique among LTB4 antagonists, due to its high degree of rigidity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00134-0
• 作为产物：
  描述：

  4-甲苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium hydroxide 、 草酰氯 、 sodium hydride 、 potassium carbonate 作用下， 以 甲苯 为溶剂， 生成 (E)-3-(4'-Methyl-biphenyl-4-yl)-acryloyl chloride
  参考文献：
  名称：

  N-aryl cinnamides: A novel class of rigid and highly potent leukotriene B4 receptor antagonists

  摘要：

  A series of N-aryl cinnamides has been prepared and assayed for antagonism of the leukotriene B-4 receptor. Several compounds in this series were found to be highly potent antagonists of the human neutrophil receptor, based on a whole cell binding assay, as well as a neutrophil aggregration assay. This series is unique among LTB4 antagonists, due to its high degree of rigidity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00134-0