1,5-Dimethyl-1,3-cyclohexadien | 1453-17-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 1,5-Dimethyl-1,3-cyclohexadien
• 英文别名: 1,5-Dimethylcyclohexa-1,3-diene
• CAS: 1453-17-4
• 化学式: C₈H₁₂
• 分子量: 108.183
• InChiKey: KIHPDGGDZZCYBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  盐酸 、 1,5-Dimethyl-1,3-cyclohexadien 、 溶剂黄146 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Auwers; Peters, Chemische Berichte, 1910, vol. 43, p. 3109

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-dimethyl-1,3-cyclohexadiene 生成 1,5-Dimethyl-1,3-cyclohexadien
  参考文献：
  名称：

  Thermolysis of 5,5-dimethyl-1,3-cyclohexadiene. Evidence for rearrangement via [1,5] sigmatropic methyl migration

  摘要：

  DOI：

  10.1021/jo00972a020

文献信息

• Study of the substituted vinylallene-methylenecyclobutene electrocyclic equilibria. Comparison with the butadiene-cyclobutene and bisallene-bismethylenecyclobutene electrocyclic equilibria
  作者：Daniel J. Pasto、Wei Kong

  DOI：10.1021/jo00278a010

  日期：1989.8
• Isomer differentiation by tri-osmium cluster complexation of substituted 1,3-cyclohexadienes
  作者：S.L. Ingham、B.F.G. Johnson、I.H. Sadler、J.G.M. Nairn

  DOI：10.1016/s0022-328x(96)06880-5

  日期：1997.3

  A series of methyl- and dimethyl-substituted 1,3-cyclohexadienes have been prepared from their aromatic analogues via Birch reduction and subsequent isomerisation with Fe(CO)(3) fragments. These ligands were reacted with [Os-3(CO)(10)(CH3CN)(2)] to form tri-osmium decacarbonyl cluster compounds containing the eta(4)-coordinated substituted 1,3-cyclohexadienes. The various isomers of the substituted dienes show a dramatic difference in their reactivity towards the tri-osmium cluster and it is likely that this is due to the steric interactions between the methyl substituents and the cluster framework, with this effect being more marked for the di-substituted ligands.
• Thermolysis of 5,5-dimethyl-1,3-cyclohexadiene. Evidence for rearrangement via [1,5] sigmatropic methyl migration
  作者：Charles W. Spangler、Deborah L. Boles

  DOI：10.1021/jo00972a020

  日期：1972.4
• Auwers; Peters, Chemische Berichte, 1910, vol. 43, p. 3109
  作者：Auwers、Peters

  DOI：——

  日期：——