2-tert-butoxy-1,3-propanediol | 73757-68-3

• 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: 2-tert-butoxy-1,3-propanediol
• 英文别名: 2-tert-butylglycerol ether；2-mono-tert-butyl glycerol；2-tert-Butoxypropane-1,3-diol；2-[(2-methylpropan-2-yl)oxy]propane-1,3-diol
• CAS: 73757-68-3
• 化学式: C₇H₁₆O₃
• 分子量: 148.202
• InChiKey: GLPNOEXJAWVCEL-UHFFFAOYSA-N

物化性质

• 沸点：
  245.0±20.0 °C(Predicted)
• 密度：
  1.015±0.06 g/cm3(Predicted)
• 保留指数：
  1212

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  4
• 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

• 作为反应物：
  描述：

  2-tert-butoxy-1,3-propanediol 以 吡啶 为溶剂， 生成 cyclohexylammonium 5-tert-butoxytrimethylene phosphate
  参考文献：
  名称：

  Conformational properties of 5-alkoxy and 5-alkyl substituted trimethylene phosphates in solution

  摘要：

  DOI：

  10.1021/ja00525a035
• 作为产物：
  描述：

  缩水甘油 、 叔丁醇 在 aluminium(III) triflate 作用下， 反应 1.0h， 生成 (±)-3-叔丁氧基-1,2-丙二醇 、 2-tert-butoxy-1,3-propanediol
  参考文献：
  名称：

  路易斯酸存在下糖醇与醇的开环合成单烷基甘油醚。

  摘要：

  目前的工作涉及通过路易斯酸基催化剂催化的缩水甘油和醇类反应的新反应途径，通过单反应生成甘油单烷基甘油醚（MAGEs）。使用Al（OTf）3或Bi（OTf）3作为催化剂，在非常温和的反应条件（80°C和0.01 mol％的催化剂负载量）下，仅1小时即可将缩水甘油以高选择性（99％）定量转化为MAGEs 。所提出的方法为生产增值产品（例如MAGE）增加了可能的绿色合成方法的选择。

  DOI：

  10.1002/cssc.201600989

文献信息

• Understanding the surface and structural characteristics of tungsten oxide supported on tin oxide catalysts for the conversion of glycerol
  作者：M SRINIVAS、G RAVEENDRA、G PARAMESWARAM、P S SAI PRASAD、S LORIDANT、N LINGAIAH

  DOI：10.1007/s12039-015-0848-4

  日期：2015.5

  Catalysts with varying WO3 content on SnO2 were prepared and characterized by X-ray diffraction, in situ Raman spectroscopy, X-ray photoelectron spectroscopy and temperature programmed desorption of NH3. In situ Raman analysis reveals the presence isolated monomers and polymeric species of WO3. These catalysts were evaluated for the conversion of glycerol into value added chemicals. Etherification of glycerol with tertiary butanol and preparation of glycerol carbonate from glycerol and urea are studied over these catalysts. The catalytic activity results suggest that the glycerol conversion and selectivity depends on the morphology of WO3 which in turn is related to its content in the catalyst. The catalysts with 5 wt.% of WO3 on SnO2 resulted in high dispersion with larger number of strong acidic sites. The selectivity in the glycerol etherification is related to the nature of the catalyst and reaction time. These catalysts also exhibited high activity for synthesis of glycerol carbonate. The effect of various reaction parameters was studied to optimize the reaction conditions. The catalysts also exhibited consistent activity upon reuse.

  制备了二氧化锡上不同 WO3 含量的催化剂，并通过 X 射线衍射、原位拉曼光谱、X 射线光电子能谱和 NH3 的温度编程解吸对其进行了表征。原位拉曼分析表明，WO3 存在分离的单体和聚合体。对这些催化剂进行了评估，用于将甘油转化为高附加值化学品。在这些催化剂上研究了甘油与叔丁醇的醚化反应，以及用甘油和尿素制备碳酸甘油酯。催化活性结果表明，甘油的转化率和选择性取决于 WO3 的形态，而 WO3 的形态又与催化剂中 WO3 的含量有关。在二氧化硫上添加 5 wt.% WO3 的催化剂具有较高的分散性和较多的强酸性位点。甘油醚化的选择性与催化剂的性质和反应时间有关。这些催化剂在合成碳酸甘油酯时也表现出较高的活性。研究了各种反应参数的影响，以优化反应条件。这些催化剂在重复使用时也表现出稳定的活性。
• Catalytic production of oxygenated additives by glycerol etherification
  作者：Catia Cannilla、Giuseppe Bonura、Leone Frusteri、Francesco Frusteri

  DOI：10.2478/s11532-014-0546-y

  日期：2014.12.1

  In this work the etherification reaction of glycerol with isobutene (IB) and tert-butyl alcohol (TBA) has been studied with the aim of preparing mixtures with high content of poly-substituted ethers. The results obtained using solid acid catalysts have shown that the reaction with IB proceeds at a high rate but the formation of undesired di-isobutene (DIB) represents a serious problem when catalysts with high density of acid sites, such as Amberlyst, are used. When using TBA as a reactant, the main problem is the formation of water that, due to thermodynamic reasons, prevents the formation of poly-substituted ethers regardless of the catalyst used. Some preliminary experiments carried out with a water permselective tubular membrane have demonstrated that the yield of poly-substituted ethers significantly increases once water was selectively removed from the reaction medium by recirculation of the gas phase.

  “摘要” 在这项工作中，研究了甘油与异丁烯（IB）和叔丁醇（TBA）的醚化反应，旨在制备高含量的多取代醚混合物。使用固体酸催化剂得到的结果表明，与 IB 的反应速率很高，但当使用具有高密度酸位的催化剂（如 Amberlyst）时，不希望的二异丁烯（DIB）的形成代表了一个严重的问题。当使用 TBA 作为反应物时，主要问题是水的形成，由于热力学原因，无论使用什么催化剂，水都会阻止多取代醚的形成。一些初步的实验使用具有水选择性的管状膜进行，证明了通过气相循环选择性地从反应介质中去除水后，多取代醚的产率显着增加。
• Catalytic Synthesis of Glycerol tert-Butyl Ethers as Fuel Additives from the Biodiesel By-Product Glycerol
  作者：Rui Huang、Eui Yong Kim

  DOI：10.1155/2015/763854

  日期：——

  Glycerol is a major by-product in the biodiesel production process. Every 100 kg of biodiesel produced generates approximately 10 kg of crude glycerol. As the biodiesel industry has expanded rapidly in recent years, finding new uses of the excess crude glycerol is important. Many studies have examined alternative uses of crude glycerol. One of them is the use of glycerol derivatives, such as glycerol tert-butyl ethers as fuel additives. In this paper, the etherification kinetics of glycerol with tert-butyl alcohol to glycerol tert-butyl ethers was studied using an Amberlyst catalyst. The influences of the catalyst type and loading, reaction time, molar ratio, and temperature were investigated in detail.

  甘油是生物柴油生产过程中的主要副产物。每生产100公斤生物柴油，大约会产生10公斤粗甘油。随着生物柴油行业近年来的快速扩张，寻找超额粗甘油的新用途变得重要。许多研究已经探讨了粗甘油的替代用途。其中之一是使用甘油衍生物，例如甘油叔丁基醚作为燃料添加剂。本文研究了使用Amberlyst催化剂将甘油与叔丁醇醚化为甘油叔丁基醚的醚化动力学。详细研究了催化剂类型和负载、反应时间、摩尔比和温度等因素的影响。
• Compositions and methods for delivery of biologically active agents
  申请人：Khoo Shui-Mei

  公开号：US20070108405A1

  公开（公告）日：2007-05-17

  The present invention provides methods and compositions for the delivery of a biologically active agent to a biological system. The compositions include the active agent and a lyotropic phase and release of the active agent to the biological system is modified by the lyotropic phase.

  本发明提供了将生物活性物质传递到生物系统的方法和组合物。这些组合物包括活性物质和亲疏水相，而亲疏水相可以调节活性物质在生物系统中的释放。
• Highly efficient conversion of glycerol and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>t</mml:mi></mml:math>-butanol to biofuel additives over AlPO solid acid catalyst under microwave irradiation technique: kinetic study
  作者：K. Shyam Prasad、S. Z. Mohamed Shamshuddin

  DOI：10.5802/crchim.132

  日期：——

  Résumé Metal-aluminophosphate solid acids (m-AlPO) were prepared and characterized by various techniques such as powder-XRD, FT-IR, BET surface area, SEM, TEM, EDAX, NH 3 -TPD/n-butylamine back titration and ICP-OES techniques. These materials were used as catalysts in liquid phase etherification reaction of glycerol with alcohol. In order to obtain good yield of the reaction product, optimization reaction was carried out by varying time, temperature, catalyst weight and molar ratio of reactants. CuAlPO solid acid showed superior performance in a short period of time with 95% glycerol conversion and 68% selectivity to higher ethers (di and tri). The catalytic activity was investigated by three heating techniques (microwave, ultrasonic and conventional). The pre-adsorption experiment obeys the Langmuir–Hinshelwood type mechanism. Kinetic studies were also carried out to determine the activation energy (E a ) and temperature coefficient (T c ) of the catalyst. The catalyst was reused for several reaction cycles without much loss of catalytic activity. Supplementary Materials: Supplementary material for this article is supplied as a separate file: crchim-132-suppl.pdf

  摘要