1,3-bis(octan-2-yloxy)propan-2-ol | 1214788-35-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1,3-bis(octan-2-yloxy)propan-2-ol
• 英文别名: 1,3-di(octan-2-yloxy)propan-2-ol
• CAS: 1214788-35-8
• 化学式: C₁₉H₄₀O₃
• 分子量: 316.525
• InChiKey: NJUNXVGOYTZCID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  辛烯 、 甘油 在 zeolite H-Beta (Si/Al = 12.5) 作用下， 140.0 ℃ 、1.0 MPa 条件下， 反应 5.0h， 生成 3-[(2-octyl)oxy]-1,2-propanediol 、 1,3-bis(octan-2-yloxy)propan-2-ol
  参考文献：
  名称：

  在异质酸催化剂上通过将基于生物质的醇与1-辛烯直接醚化合成长烷基链醚

  摘要：

  研究了各种基于生物质的醇与1-辛烯的异质醚化，这是合成长烷基链醚的直接途径。在无溶剂体系中，筛选了几种酸性催化剂材料（包括Amberlyst树脂和各种沸石）作为醚化催化剂。发现H-β沸石是用于将基于生物质的醇与1-辛烯醚化为相应的单醚的最具选择性的催化剂。用H-β整齐甘油的转化率为约15-20％，并且增加至54-89％为二醇如乙二醇和1,2-丙二醇，具有高的选择性，以单声道-和二-辛基醚的含量为85-97％。其他直链烯烃如1-十二碳烯和1-十六碳烯也成功地用于二醇的直接醚化中。粗甘油也被醚化，尽管转化率低。研究了几种反应参数对H-β醚化活性的影响以及催化剂的回收和再利用。

  DOI：

  10.1016/j.jcat.2009.09.023

文献信息

• Chemical Imaging of Catalyst Deactivation during the Conversion of Renewables at the Single Particle Level: Etherification of Biomass-Based Polyols with Alkenes over H-Beta Zeolites
  作者：Andrei N. Parvulescu、Davide Mores、Eli Stavitski、Cristian M. Teodorescu、Pieter C. A. Bruijnincx、Robertus J. M. Klein Gebbink、Bert M. Weckhuysen

  DOI：10.1021/ja102566b

  日期：2010.8.4

  The etherification of biomass-based alcohols with various linear alpha-olefins under solvent-free conditions was followed in a space- and time-resolved manner on 9 mu m large H-Beta zeolite crystals by confocal fluorescence microscopy. This allowed us to visualize the interaction with the substrate and distribution of the coke products into the catalyst at the level of an individual zeolite crystal during the etherification process. The spectroscopic information obtained on the micrometer-scale zeolite was in line with the results obtained with bulk characterization techniques and further confirmed by the catalytic results obtained both for micrometer-scale and nanoscale zeolites. This allowed us to explain the influence of the substrate type (glycerol, glycols, and alkenes) and zeolite properties (Si/Al ratio and particle size) on the etherification activity. The etherification of the biomass-based alcohols takes place mainly on the external surface of the zeolite particles. The gradual blockage of the external surface of the zeolite results in a partial or total loss of etherification activity. The deactivation could be attributed to olefin oligomerization. The high conversions obtained in the etherification of 1,2-propylene glycol with long linear alkenes (up to 80%) and the pronounced deactivation of the zeolite observed in the etherification of glycerol with long linear alkenes (max. 20% conversion) were explained by the spectroscopic measurements and is due to differences in the adsorption, i.e., in the center of the zeolite particle for glycerol and on the external surface in the case of glycols.