dodeca-1,5,7,11-tetrayne-3,9-diene | 30047-30-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: dodeca-1,5,7,11-tetrayne-3,9-diene
• 英文别名: dodeca-3c,9c-diene-1,5,7,11-tetrayne；(3Z,9Z)-dodeca-3,9-dien-1,5,7,11-tetrayne
• CAS: 30047-30-4
• 化学式: C₁₂H₆
• 分子量: 150.18
• InChiKey: PZGYJRMVSJALMZ-SFECMWDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,4-环己二烯 、 dodeca-1,5,7,11-tetrayne-3,9-diene 以 苯 为溶剂， 生成 联苯 、 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Synthesis and investigations of enetetraynes

  摘要：

  Several enetetrayne containing compounds have been synthesized and their chemistry explored vis-a-vis the Bergman cycloaromatization. With one exception the compounds were unreactive along this pathway. AM1 calculations were performed in order to gain further insights into these reactions. The results indicate that the strain of constraining the resulting benzodiyne in a small ring raises the energy of the transition state of the initial Bergman reaction.

  DOI：

  10.1016/s0040-4020(01)80631-1
• 作为产物：
  描述：

  1,12-bisthexyldimethylsilyl-dodeca-1,5,7,11-tetrayne-3,9-diene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成 dodeca-1,5,7,11-tetrayne-3,9-diene
  参考文献：
  名称：

  Synthesis and investigations of enetetraynes

  摘要：

  Several enetetrayne containing compounds have been synthesized and their chemistry explored vis-a-vis the Bergman cycloaromatization. With one exception the compounds were unreactive along this pathway. AM1 calculations were performed in order to gain further insights into these reactions. The results indicate that the strain of constraining the resulting benzodiyne in a small ring raises the energy of the transition state of the initial Bergman reaction.

  DOI：

  10.1016/s0040-4020(01)80631-1

文献信息

• Unsaturated macrocyclic compounds. LXXV. 1,3,7,9,13,15,19,21-Octadehydro[24]annulene and its anions
  作者：Franz Sondheimer、R. M. McQuilkin、P. J. Garratt

  DOI：10.1021/ja00725a073

  日期：1970.11