1-乙基-3,5-二甲基环己烷 | 7045-68-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 中文名称: 1-乙基-3,5-二甲基环己烷
• 英文名称: 1-ethyl-3,5-dimethylcyclohexane
• 英文别名: 1-Ethyl-3,5-dimethyl-cyclohexan；1-Aethyl-3,5-dimethyl-cyclohexan；β-Dekanaphthen
• CAS: 7045-68-3
• 化学式: C₁₀H₂₀
• 分子量: 140.269
• InChiKey: KWSDSCXAPPWVMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 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-乙基-3,5-二甲基环己烷 生成 1-ethyl-2,4,6-tribromo-3,5-dimethyl-benzene
  参考文献：
  名称：

  Reaction of Paraffins with Hexahydroaromatic Hydrocarbons in the Presence of Aluminum Halides

  摘要：

  DOI：

  10.1021/ja01872a029
• 作为产物：
  描述：

  3,4-二甲基己烷 、 环己烷 在 盐酸 、 三氯化铝 作用下， 生成 1-乙基-3,5-二甲基环己烷
  参考文献：
  名称：

  Reaction of Paraffins with Hexahydroaromatic Hydrocarbons in the Presence of Aluminum Halides

  摘要：

  DOI：

  10.1021/ja01872a029

文献信息

• Reaction of Methylcyclopentane with Olefins in the Presence of Sulfuric Acid and Hydrogen Fluoride Catalysts¹
  作者：Herman Pines、V. N. Ipatieff

  DOI：10.1021/ja01226a001

  日期：1945.10
• Ring opening of decalin and methylcyclohexane over alumina-based monofunctional WO3/Al2O3 and Ir/Al2O3 catalysts
  作者：Rodrigo Moraes、Karine Thomas、Sébastien Thomas、Sander Van Donk、Giacomo Grasso、Jean-Pierre Gilson、Marwan Houalla

  DOI：10.1016/j.jcat.2011.10.014

  日期：2012.2

  Ring-opening reactions of decalin and MCH were studied over monofunctional acid (WO3/Al2O3) and metal (Ir/Al2O3) catalysts containing, respectively, up to 5.3 at. W/nm(2) and 1.8 wt% Ir. The catalysts were characterized by X-ray diffraction, Raman spectroscopy, low-temperature CO adsorption followed by infrared spectroscopy, and H-2 chemisorption. A reaction network was proposed for both molecules and used to determine the kinetic parameters. Kinetic modeling allowed relating characterization results and catalytic performance. For WO3/Al2O3 catalysts, ring contraction precedes ring opening of both molecules. The evolution of ring contraction activity was consistent with the development of relatively strong Bronsted acid sites. Ring opening occurs according to a classic acid mechanism. For Ir/Al2O3 catalysts, only direct ring opening was observed. Ring opening proceeds mostly via dicarbene mechanism. Analysis of products indicated that monofunctional metal catalysts are better suited than acid solids for upgrading LCO. (C) 2011 Elsevier Inc. All rights reserved.
• Ring opening of decalin and methylcyclohexane over bifunctional Ir/WO3/Al2O3 catalysts
  作者：Rodrigo Moraes、Karine Thomas、Sébastien Thomas、Sander Van Donk、Giacomo Grasso、Jean-Pierre Gilson、Marwan Houalla

  DOI：10.1016/j.jcat.2012.11.017

  日期：2013.3

  Ring-opening reactions of decalin and methylcyclohexane (MCH) over bifunctional catalysts (1.2Ir/WO3/Al2O3) were investigated. A series of catalysts containing up to 5.3 at. W/nm(2) and 1.2 wt.% Ir was prepared. The acidity of the solids was monitored by low-temperature CO adsorption followed by infrared spectroscopy. Characterization of the Ir metal phase was performed by H-2 chemisorption and X-ray diffraction. The activity and product selectivity patterns obtained for the decalin ring-opening reaction were compared with those observed for MCH. For both naphthenes, ring contraction precedes ring opening, suggesting a similar ring-opening mechanism. Kinetic modeling based on the proposed reaction network allowed the determination of the activation energies and initial rates. Based on the yields and products distribution obtained for the decalin reaction, the potential for improvement of the cetane number is discussed. (c) 2012 Elsevier Inc. All rights reserved.
• Rudewitsch, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1898, vol. 30, p. 587
  作者：Rudewitsch

  DOI：——

  日期：——
• Reaction of Paraffins with Hexahydroaromatic Hydrocarbons in the Presence of Aluminum Halides
  作者：Herman. Pines、Aristid V. Grosse、V. N. Ipatieff

  DOI：10.1021/ja01872a029

  日期：1939.3