1-propoxy 2-phenylethyne | 1612219-18-7

• 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: 1-propoxy 2-phenylethyne
• 英文别名: 2-Propoxyethynylbenzene
• CAS: 1612219-18-7
• 化学式: C₁₁H₁₂O
• 分子量: 160.216
• InChiKey: IJUJSONFJRJOBH-UHFFFAOYSA-N

物化性质

• 沸点：
  229.4±13.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  丙醇 、 在 氢化钾 、 二甲胺 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 以69%的产率得到1-propoxy 2-phenylethyne
  参考文献：
  名称：

  Transition-Metal-Free Synthesis of Ynol Ethers and Thioynol Ethers via Displacement at sp Centers: A Revised Mechanistic Pathway

  摘要：

  We present here valuable extensions to our previous work in preparing highly functionalized, heteroatom-substituted alkynes via displacement at an sp center. Our results show that a wide range of ynol ethers can be prepared by the same methodology and that the same protocol can be applied to the synthesis of synthetically useful thioynol ethers. We also present new observations that have led us to revise our original hypothesis in favor of a pathway involving radical intermediates.

  DOI：

  10.1021/jo500814y

文献信息

• A hexenediyne derivative and a liquid crystal composition
  申请人：CHISSO CORPORATION

  公开号：EP0672742A1

  公开（公告）日：1995-09-20

  Hexenediynes, suitable for use in liquid crystal systems, have the formula: wherein R¹ and R² are the same or are different and each is an alkyl or alkoxy group; ring A and ring B are the same or are different and each is a 1,4-cyclohexylene or 1,4-phenylene group; and X is a hydrogen or fluorine atom.

  适合在液晶系统中使用的己二炔具有以下式子： 其中 R¹ 和 R² 相同或不同，各自为烷基或烷氧基；环 A 和环 B 相同或不同，各自为 1,4-环己烯或 1,4-亚苯基；X 为氢原子或氟原子。
• US5554316A
  申请人：——

  公开号：US5554316A

  公开（公告）日：1996-09-10
• Transition-Metal-Free Synthesis of Ynol Ethers and Thioynol Ethers via Displacement at sp Centers: A Revised Mechanistic Pathway
  作者：Vincent James Gray、James Cuthbertson、Jonathan D. Wilden

  DOI：10.1021/jo500814y

  日期：2014.6.20

  We present here valuable extensions to our previous work in preparing highly functionalized, heteroatom-substituted alkynes via displacement at an sp center. Our results show that a wide range of ynol ethers can be prepared by the same methodology and that the same protocol can be applied to the synthesis of synthetically useful thioynol ethers. We also present new observations that have led us to revise our original hypothesis in favor of a pathway involving radical intermediates.