(E)-ethyl 3-(2-(3-(butylthio)prop-1-ynyl)cyclohex-1-enyl)acrylate | 1235340-14-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-ethyl 3-(2-(3-(butylthio)prop-1-ynyl)cyclohex-1-enyl)acrylate
• 英文别名: ethyl (E)-3-[2-(3-butylsulfanylprop-1-ynyl)cyclohexen-1-yl]prop-2-enoate
• CAS: 1235340-14-3
• 化学式: C₁₈H₂₆O₂S
• 分子量: 306.469
• InChiKey: JKGKLHSPMCHPGI-OUKQBFOZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 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：

  (E)-ethyl 3-(2-(3-(butylthio)prop-1-ynyl)cyclohex-1-enyl)acrylate 在 氘代甲醇 、 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  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：

  ethyl (E)-3-(2-iodocyclohex-1-en-1-yl)acrylate 、 1-(2-丙炔基硫基)丁烷 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 (E)-ethyl 3-(2-(3-(butylthio)prop-1-ynyl)cyclohex-1-enyl)acrylate
  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.