(2E,4Z)-ethyl 5-phenyl-8-(phenylthio)octa-2,4-dien-6-ynoate | 1235339-60-2

• 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: (2E,4Z)-ethyl 5-phenyl-8-(phenylthio)octa-2,4-dien-6-ynoate
• 英文别名: ethyl (2E,4Z)-5-phenyl-8-phenylsulfanylocta-2,4-dien-6-ynoate
• CAS: 1235339-60-2
• 化学式: C₂₂H₂₀O₂S
• 分子量: 348.466
• InChiKey: YKWNMZGNZNACOJ-SWSVRFKBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E,4Z)-ethyl 5-phenyl-8-(phenylthio)octa-2,4-dien-6-ynoate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以80%的产率得到ethyl 3-(phenylthiomethyl)biphenyl-4-carboxylate
  参考文献：
  名称：

  Sulfur-Assisted Propargyl−Allenyl Isomerizations and Electrocyclizations for the Convenient and Efficient Synthesis of Polyfunctionalized Benzenes and Naphthalenes

  摘要：

  A facile and efficient electrocyclization for the synthesis of polyfunctionalized benzene and naphthalene derivatives was reported. As a result of the ready availability of starting materials and simple operation, this type of reaction has potential utility in organic synthesis.

  DOI：

  10.1021/ol101479d
• 作为产物：
  描述：

  苯基丙炔基硫醚 、 (2E,4Z)-ethyl 5-iodo-5-phenylpenta-2,4-dienoate 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (2E,4Z)-ethyl 5-phenyl-8-(phenylthio)octa-2,4-dien-6-ynoate
  参考文献：
  名称：

  Sulfur-Assisted Propargyl−Allenyl Isomerizations and Electrocyclizations for the Convenient and Efficient Synthesis of Polyfunctionalized Benzenes and Naphthalenes

  摘要：

  A facile and efficient electrocyclization for the synthesis of polyfunctionalized benzene and naphthalene derivatives was reported. As a result of the ready availability of starting materials and simple operation, this type of reaction has potential utility in organic synthesis.

  DOI：

  10.1021/ol101479d

文献信息

• Sulfur-Assisted Propargyl−Allenyl Isomerizations and Electrocyclizations for the Convenient and Efficient Synthesis of Polyfunctionalized Benzenes and Naphthalenes
  作者：Hongwei Zhou、Yanpeng Xing、Jinzhong Yao、Junhui Chen

  DOI：10.1021/ol101479d

  日期：2010.8.20

  A facile and efficient electrocyclization for the synthesis of polyfunctionalized benzene and naphthalene derivatives was reported. As a result of the ready availability of starting materials and simple operation, this type of reaction has potential utility in organic synthesis.