1,2-dimethyl-4-(1,2-dimethylpropyl)benzene | 204007-84-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,2-dimethyl-4-(1,2-dimethylpropyl)benzene
• 英文别名: 1,2-Dimethyl-4-(3-methylbutan-2-yl)benzene；1,2-dimethyl-4-(3-methylbutan-2-yl)benzene
• CAS: 204007-84-1
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: KIWVVVYGRYIZAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  1,2-dimethyl-4-(1,2-dimethylpropyl)benzene 在 catalyst complex based on aluminum bromide 作用下， 生成 1,2-dimethyl-4-(1,1-dimethylpropyl)benzene
  参考文献：
  名称：

  The positional and structural izomerization equilibrium of branched pentylbenzenes

  摘要：

  The equilibrium of the positional and structural isomerization of branched monopentylbenzenes, pentyltoluenes, and pentyl-o-xylenes was studied. It was found that the 1,2-dimethylpropyl substituted derivatives prevail over the 1,1-dimethylpropyl substituted isomers in the equilibrium mixture of all of the examined groups of compounds. The thermodynamic characteristics of the structural isomerization of pentylbenzenes were calculated from the experimental data.

  DOI：

  10.1134/s0965544110020106
• 作为产物：
  描述：

  1,2-dimethyl-4-(1,1-dimethylpropyl)benzene 在 catalyst complex based on aluminum bromide 作用下， 生成 1,2-dimethyl-4-(1,2-dimethylpropyl)benzene
  参考文献：
  名称：

  The positional and structural izomerization equilibrium of branched pentylbenzenes

  摘要：

  The equilibrium of the positional and structural isomerization of branched monopentylbenzenes, pentyltoluenes, and pentyl-o-xylenes was studied. It was found that the 1,2-dimethylpropyl substituted derivatives prevail over the 1,1-dimethylpropyl substituted isomers in the equilibrium mixture of all of the examined groups of compounds. The thermodynamic characteristics of the structural isomerization of pentylbenzenes were calculated from the experimental data.

  DOI：

  10.1134/s0965544110020106