1,2-dimethyl-4-(1,1-dimethylpropyl)benzene | 52899-12-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-dimethyl-4-(1,1-dimethylpropyl)benzene
• 英文别名: 1,2-dimethyl-4-tert-amylbenzene；4-tert-amyl-o-xylene；4-(1,1-dimethylpropyl)-1,2-dimethylbenzene；1,2-Dimethyl-4-t-amylbenzene；1,2-dimethyl-4-(2-methylbutan-2-yl)benzene
• CAS: 52899-12-4
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: DSIJCWSKZYUBCE-UHFFFAOYSA-N

物化性质

• 沸点：
  128-130 °C(Press: 35 Torr)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 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-(1,1-dimethylpropyl)benzene 生成 2-氯代-2-甲基丁烷
  参考文献：
  名称：

  POZDNYAKOVICH YU. V.; BORODOVITSYN V. V.; SHEJN S. M., ZH. ORGAN. XIMII, 23,(1987) N 1, 154-157

  摘要：

  DOI：
• 作为产物：
  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

文献信息

• Selective alkylation of xylenes by alcohols on zeolite catalysts
  作者：Ya. I. Isakov、Kh. M. Minachev、V. P. Kalinin、T. A. Isakova

  DOI：10.1007/bf01430639

  日期：1996.12

  The peculiarities of catalytic performance of crystalline aluminosilicates of different types and compositions (X, Y including dealuminated Y′, mordenite, pentasil ZSM-5), as well as of amorphous aluminosilicate catalyst in conversion of xylene + alcohol mixtures were studied. New data were obtained for alkylation ofo-xylene withtert-butyl alcohol, concerning controlling the selectivity and stability

  研究了不同类型和成分的结晶铝硅酸盐（X、Y 包括脱铝 Y'、丝光沸石、pentasil ZSM-5）以及无定形铝硅酸盐催化剂在二甲苯 + 醇混合物转化中的催化性能特点。获得了用叔丁醇烷基化邻二甲苯的新数据，涉及控制沸石催化剂在有水参与的反应中的选择性和稳定性，包括反应过程中放出的水，特别是通过控制酸性和疏水性沸石。开发了一种催化剂，可确保 1,2-二甲基-4-叔丁基苯 (DMTBB) 的产量为 94%，醇转化为目标产物的选择性为 94-97%。该催化剂可用作合成 DMTBB 的高性能和环境安全方法的基础。所开发的催化剂还可用于C3-C5醇对邻二甲苯的选择性烷基化和间二甲苯叔丁醇的烷基化。
• Pozdnyakovich, Yu. V.; Borodovitsyn, V. V.; Shein, S. M., Journal of Organic Chemistry USSR (English Translation), 1987, vol. 23, p. 138 - 141
  作者：Pozdnyakovich, Yu. V.、Borodovitsyn, V. V.、Shein, S. M.

  DOI：——

  日期：——
• ——
  作者：EDA TSUNEHITO

  DOI：——

  日期：——
• The positional and structural izomerization equilibrium of branched pentylbenzenes
  作者：P. V. Naumkin、T. N. Nesterova、I. A. Nesterov、N. N. Vodenkova、E. V. Golovin

  DOI：10.1134/s0965544110020106

  日期：2010.3

  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.
• POZDNYAKOVICH YU. V.; BORODOVITSYN V. V.; SHEJN S. M., ZH. ORGAN. XIMII, 23,(1987) N 1, 154-157
  作者：POZDNYAKOVICH YU. V.、 BORODOVITSYN V. V.、 SHEJN S. M.

  DOI：——

  日期：——