3-[(2-octyl)oxy]-1,2-propanediol | 182015-50-5

• 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: 3-[(2-octyl)oxy]-1,2-propanediol
• 英文别名: 3-(octan-2-yloxy)propane-1,2-diol；3-octan-2-yloxypropane-1,2-diol
• CAS: 182015-50-5
• 化学式: C₁₁H₂₄O₃
• 分子量: 204.31
• InChiKey: BFAAKNDBJBNYMM-UHFFFAOYSA-N

物化性质

• 沸点：
  325.8±22.0 °C(Predicted)
• 密度：
  0.962±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-{[(1-methylheptyl)oxy]methyl}oxirane 在 水 、 sodium hydroxide 作用下， 生成 3-[(2-octyl)oxy]-1,2-propanediol
  参考文献：
  名称：

  BIOBASED ALKYL GLYCERYL ETHERS AND METHODS OF MAKING AND USING THE SAME

  摘要：

  本发明涉及生物基烷基、烯基或炔基甘油醚化合物，以及包含其的组合物和配方，制备本发明生物基化合物的工艺，以及其应用，包括在产品或产品组分的配方中使用本发明化合物和组合物。

  公开号：

  US20210363086A1

文献信息

• Synthesis of long alkyl chain ethers through direct etherification of biomass-based alcohols with 1-octene over heterogeneous acid catalysts
  作者：Agnieszka M. Ruppert、Andrei N. Parvulescu、Maria Arias、Peter J.C. Hausoul、Pieter C.A. Bruijnincx、Robertus J.M. Klein Gebbink、Bert M. Weckhuysen

  DOI：10.1016/j.jcat.2009.09.023

  日期：2009.12.10

  Heterogeneous etherification of various biomass-based alcohols with 1-octene was investigated as a direct route for the synthesis of long alkyl chain ethers. Several acid catalyst materials including Amberlyst resins and various zeolites were screened as etherification catalysts in a solventless system. It was found that H-Beta zeolites are the most selective catalysts for the etherification of biomass-based

  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。
• One-step selective synthesis of branched 1-O-alkyl-glycerol/diglycerol monoethers by catalytic reductive alkylation of ketones
  作者：Yan Shi、Wissam Dayoub、Guo-Rong Chen、Marc Lemaire

  DOI：10.1007/s11426-010-4054-4

  日期：2010.9

  Branched 1-O-alkyl glycerol and diglycerol monoethers were obtained in good yields and high selectivity by a straightforward catalytic reductive alkylation of glycerol with relevant ketones in the presence of 0.5 mol% of Pd/C under 10 bar of hydrogen pressure using a Brønsted acid as the co-catalyst.

  在0.5 mol％的Pd / C存在下，在10 bar氢气压力下，使用布朗斯台德酸，在0.5 mol％的Pd / C下，通过甘油与相关酮的直接催化还原烷基化反应，可以高收率和高选择性地获得支化的1- O-烷基甘油和二甘油单醚。作为助催化剂。
• Percutaneous absorption accelerator and preparation containing same
  申请人：Kao Corporation

  公开号：EP0162239A1

  公开（公告）日：1985-11-27

  The invention relates to a percutaneous absorption accelerator comprising an ether compound of a glycerol or a polyglycerol and an alcohol as an effective component.

  本发明涉及一种经皮吸收促进剂，其有效成分包括甘油或聚甘油与醇的醚化合物。
• 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.
• NOVEL ANTIOXIDANTS FOR COSMETICS AND PHARMACEUTICAL COMPOSITIONS CONTAINING GLYCEROL ALKYL ETHERS
  申请人：Sachem, Inc.

  公开号：EP3562465B1

  公开（公告）日：2021-03-31