methyl (E)-5-oxo-7-phenylhept-6-enoate | 95123-17-4

• 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: methyl (E)-5-oxo-7-phenylhept-6-enoate
• CAS: 95123-17-4
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: ZANFVFAGOMZRLA-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  17.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl (E)-5-oxo-7-phenylhept-6-enoate 在 potassium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 生成 (E)-5-oxo-7-phenylhept-6-enoic acid
  参考文献：
  名称：

  5-Oxo-ETE Receptor Antagonists

  摘要：

  5-Oxo-ETE is the most powerful eosinophil chemoattractant among lipid mediators. Eosinophil infiltration into the lungs of asthmatics may be responsible for the late phase of inflammatory asthma. We have designed and synthesized a 5-oxo-ETE receptor antagonist, the purpose of which is to prevent eosinophil migration to the lung during an asthma attack and thereby reduce asthma symptoms.

  DOI：

  10.1021/jm400480j
• 作为产物：
  描述：

  4-氯甲酰基丁酸甲酯 在 sodium hexamethyldisilazane 、 sodium iodide 作用下， 以 四氢呋喃 、 乙醚 、 乙腈 为溶剂， 反应 37.0h， 生成 methyl (E)-5-oxo-7-phenylhept-6-enoate
  参考文献：
  名称：

  5-Oxo-ETE Receptor Antagonists

  摘要：

  5-Oxo-ETE is the most powerful eosinophil chemoattractant among lipid mediators. Eosinophil infiltration into the lungs of asthmatics may be responsible for the late phase of inflammatory asthma. We have designed and synthesized a 5-oxo-ETE receptor antagonist, the purpose of which is to prevent eosinophil migration to the lung during an asthma attack and thereby reduce asthma symptoms.

  DOI：

  10.1021/jm400480j

文献信息

• Metallic nickel-mediated synthesis of ketones by the reaction of benzylic, allylic, vinylic, and pentafluorophenyl halides with acid halides
  作者：Shinichi Inaba、Reuben D. Rieke

  DOI：10.1021/jo00209a006

  日期：1985.5
• Kapadia, Haresh D.; Sunthankar, S. V., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 11, p. 993 - 994
  作者：Kapadia, Haresh D.、Sunthankar, S. V.

  DOI：——

  日期：——
• KAPADIA, H. D.;SUNTHANKAR, S. V., INDIAN J. CHEM., 1981, 20, N 11, 993-994
  作者：KAPADIA, H. D.、SUNTHANKAR, S. V.

  DOI：——

  日期：——
• INABA, SHIN-ICHI;RIEKE, R. D., J. ORG. CHEM., 1985, 50, N 9, 1373-1381
  作者：INABA, SHIN-ICHI、RIEKE, R. D.

  DOI：——

  日期：——