(3E)-3-ethyl-4-propyldodec-3-en-5-yne

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (3E)-3-ethyl-4-propyldodec-3-en-5-yne
• 英文别名: (E)-4-ethyl-5-propylundec-4-en-6-yne
• 化学式: C₁₆H₂₈
• 分子量: 220.398
• InChiKey: AKPLQQFJGROSQC-FOCLMDBBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-bromohexyne 、 alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) chloride 作用下， 反应 3.0h， 以76%的产率得到(3E)-3-ethyl-4-propyldodec-3-en-5-yne
  参考文献：
  名称：

  Highly substituted enyne formation by coupling reaction of alkenylzirconium compounds with alkynyl halides

  摘要：

  Alkenylzirconium compounds, which were prepared by carbozirconation or hydrozirconation of alkynes, reacted with alkynyl halides in the presence of CuCl to give highly substituted 1,3-enynes in good yields. This reaction was done conveniently in one-pot from alkynes. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00838-1

文献信息

• Preparation of Diynes via Selective Bisalkynylation of Zirconacycles
  作者：Yuanhong Liu、Chanjuan Xi、Ryuichiro Hara、Kiyohiko Nakajima、Akiko Yamazaki、Martin Kotora、Tamotsu Takahashi

  DOI：10.1021/jo0005417

  日期：2000.10.1

  Reaction of alkynyl halides with in situ prepared zirconacyclopentanes, -pentenes, and -pentadienes in the presence of CuCl under mild reaction conditions afforded alkynes or diynes. Control of the reaction conditions selectively afforded monoalkynylation products of zirconacycles. Reaction of zirconacycles with 2 equiv of alkynyl halides resulted in the formation of diynes. Selective monoalkynylation of zirconacycle with an alkynyl halide, followed by reaction with a different alkynyl halide, afforded unsymmetrical diynes. Bisalkynylation product of zirconacyclopentadiene was gradually converted into a tricyclic compound.
• Highly substituted enyne formation by coupling reaction of alkenylzirconium compounds with alkynyl halides
  作者：Ryuichiro Hara、Yuanhong Liu、Wen-Hua Sun、Tamotsu Takahashi

  DOI：10.1016/s0040-4039(97)00838-1

  日期：1997.6

  Alkenylzirconium compounds, which were prepared by carbozirconation or hydrozirconation of alkynes, reacted with alkynyl halides in the presence of CuCl to give highly substituted 1,3-enynes in good yields. This reaction was done conveniently in one-pot from alkynes. (C) 1997 Elsevier Science Ltd.