1-(2-hexyl)-2-methylbenzene

• 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-hexyl)-2-methylbenzene
• 英文别名: ortho-2-tolylhexane；2-(o-tolyl)hexane；1-Hexan-2-yl-2-methylbenzene
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: XCECKAMSYYXHQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  13
• 可旋转键数：
  4
• 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

• 作为产物：
  描述：

  1-己烯 、 甲苯 在 macroreticular ion-exchange resin Amberlyst 35 作用下， 99.84 ℃ 、2.0 MPa 条件下， 生成 3-己烯 、 顺-2-己烯 、 反-2-已烯 、 1-(2-hexyl)-2-methylbenzene
  参考文献：
  名称：

  Alkylation of toluene with 1-hexene over macroreticular ion-exchange resins

  摘要：

  The macroreticular acidic ion-exchange resins Amberlyst 35, Amberlyst 46 and Purolite CT 275 were investigated as catalysts for the alkylation of toluene with 1-hexene and simultaneous dimerization and isomerization of the olefin at 373 K. After six hours of reaction, 1-hexene conversion was complete. At low toluene concentration double-bound isomerization of 1-hexene was the main reaction. As toluene concentration increased, double-bond isomerization decreased and toluene alkylation and olefin dimerization reactions increased. By using Purolite CT 275 resin and for an almost equimolar toluene to 1-hexene ratio, the selectivity to dimers was 22%, that of mono- and di-alkylated compounds were 42% and 3.5%, respectively, while that of double-bound isomerization was 32.5%. These reactions catalyzed by macroreticular ion-exchange resins of high acid capacity and degree of crosslinking can be useful to boost naphtha streams in the refining industry by reducing volatile compounds and aromatics of low boiling point. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.apcata.2014.07.044

文献信息

• A New Preparation Method for the Alkylation Catalysts of Aromatic Compounds Based on Immobilized AlCl3
  作者：V. I. Bykov、B. A. Belyaev

  DOI：10.1134/s0023158421020026

  日期：2021.3

  Abstract A new method for the preparation of active catalysts for the alkylation and transalkylation of aromatic compounds (benzene and toluene) based on aluminum chloride immobilized on the surface of silica gel was developed. The alkylation occurred with a high reaction rate at room temperature. Thus, the conversion of 1-hexene in the alkylation of benzene or toluene was close to 100% already 5 min

  摘要 开发了一种新的活性催化剂的制备方法，该催化剂用于固定在硅胶表面的氯化铝，用于芳族化合物（苯和甲苯）的烷基化和烷基转移。在室温下以高反应速率发生烷基化。因此，在反应开始后5分钟，在苯或甲苯的烷基化中1-己烯的转化率接近100％。烷基转移反应在相同的催化剂上进行，但温度较高且速率较低。因此，在1小时后，在80℃的温度下二己基苯的转化率达到75％。在苯与乙烯的烷基化反应中（室温；乙烯压力为5 atm），在45分钟后形成39.2％的乙苯和仅3.6％的二乙苯（三种位置异构体）。
• New Heterogeneous Alkylation Catalysts Based on Niobium Pentachloride
  作者：V. I. Bykov、B. A. Belyaev、T. A. Butenko

  DOI：10.1134/s0023158418050026

  日期：2018.9

  New active catalysts based on niobium pentachloride immobilized on the surface of silica gel or aluminum oxide for the alkylation of aromatic compounds were prepared. The reaction occurs with a high rate at room temperature. Thus, the conversion of 1-hexene in the alkylation of benzene or toluene was close to 100% only 5 min after the onset of the reaction.

  制备了新的基于五氯化铌固定在硅胶或氧化铝表面的用于芳族化合物烷基化的活性催化剂。该反应在室温下以高速率发生。因此，在反应开始后仅5分钟，在苯或甲苯的烷基化中1-己烯的转化率接近100％。