2,5-dimethyl-1,3-cyclohexadiene | 2050-33-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,5-dimethyl-1,3-cyclohexadiene
• 英文别名: 2,5-dimethyl-cyclohexa-1,3-diene；2,5-Dimethyl-cyclohexa-1,3-dien；(Dihydro-p-xylol)；2,5-dimethylcyclohexa-1,3-diene
• CAS: 2050-33-1
• 化学式: C₈H₁₂
• 分子量: 108.183
• InChiKey: QFZFKXVGQIODJN-UHFFFAOYSA-N

物化性质

• 沸点：
  132.85°C (estimate)
• 密度：
  0.8245

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：

  1,4-二甲基环己-1,3-二烯 、 bis(acetonitrile)decacarbonyltriosmium 、 2,5-dimethyl-1,3-cyclohexadiene 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Isomer differentiation by tri-osmium cluster complexation of substituted 1,3-cyclohexadienes

  摘要：

  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.

  DOI：

  10.1016/s0022-328x(96)06880-5
• 作为产物：
  描述：

  1,2-dibromo-1,4-dimethyl-cyclohexane 在 sodium ethanolate 作用下， 生成 2,5-dimethyl-1,3-cyclohexadiene
  参考文献：
  名称：

  Mousseron; Winternitz, Bulletin de la Societe Chimique de France, 1945, vol. <5> 12, p. 71

  摘要：

  DOI：

文献信息

• Mousseron; Winternitz, Bulletin de la Societe Chimique de France, 1945, vol. <5> 12, p. 71
  作者：Mousseron、Winternitz

  DOI：——

  日期：——
• 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.