(2E,4E,6E)-2,4,6-dodecatrien-11-yn-1-al | 173728-18-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2E,4E,6E)-2,4,6-dodecatrien-11-yn-1-al
• 英文别名: (2E,4E,6E)-dodeca-2,4,6-trien-11-ynal
• CAS: 173728-18-2
• 化学式: C₁₂H₁₄O
• 分子量: 174.243
• InChiKey: CMLFFOUTLPXYAQ-OBWVEWQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (2E,4E,6E)-2,4,6-dodecatrien-11-yn-1-al 、 alkaline earth salt of/the/ methylsulfuric acid 以 四氢呋喃 为溶剂， 反应 2.0h， 以74%的产率得到(2E,4E)-5-(13-methoxy-8,11-dioxotetracyclo<5.5.2.0^1,5.0^7,12>tetradec-13-en-6-yl)-2,4-pentadienal
  参考文献：
  名称：

  On the Reaction of a Dioxenylmolybdenum Carbene Complex with Enynes:  Studies of the Intramolecular Diels−Alder Reaction

  摘要：

  Dioxenylmolybdenum carbene complex 1 has been found to readily react with enynes to form tetracyclic products. The tetracyclic products of this reaction appear to be generated via intramolecular [4 + 2] cycloaddition of an initially formed trialkoxycyclopentadiene derivative. Studies which help to define the generality of this reaction are reported, and the involvement of the metal in the cyclization process is discussed.

  DOI：

  10.1021/jo9513370
• 作为产物：
  描述：

  ethyl (2E,4E,6E)-2,4,6-dodecatrien-11-ynoate 在 草酰氯 、 二异丁基氢化铝 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.83h， 生成 (2E,4E,6E)-2,4,6-dodecatrien-11-yn-1-al
  参考文献：
  名称：

  On the Reaction of a Dioxenylmolybdenum Carbene Complex with Enynes:  Studies of the Intramolecular Diels−Alder Reaction

  摘要：

  Dioxenylmolybdenum carbene complex 1 has been found to readily react with enynes to form tetracyclic products. The tetracyclic products of this reaction appear to be generated via intramolecular [4 + 2] cycloaddition of an initially formed trialkoxycyclopentadiene derivative. Studies which help to define the generality of this reaction are reported, and the involvement of the metal in the cyclization process is discussed.

  DOI：

  10.1021/jo9513370

文献信息

• On the Reaction of a Dioxenylmolybdenum Carbene Complex with Enynes:  Studies of the Intramolecular Diels−Alder Reaction
  作者：Daniel F. Harvey、Ellen M. Grenzer

  DOI：10.1021/jo9513370

  日期：1996.1.1

  Dioxenylmolybdenum carbene complex 1 has been found to readily react with enynes to form tetracyclic products. The tetracyclic products of this reaction appear to be generated via intramolecular [4 + 2] cycloaddition of an initially formed trialkoxycyclopentadiene derivative. Studies which help to define the generality of this reaction are reported, and the involvement of the metal in the cyclization process is discussed.