calcium glyceroxide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: calcium glyceroxide
• 英文别名: calcium diglyceroxide
• 化学式: 2C₃H₇O₃*Ca
• 分子量: 222.252
• InChiKey: VWKKCWACQCYBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.68
• 重原子数：
  7.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.52
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 calcium glyceroxide 生成 Calcium;2,3-dihydroxypropan-1-olate;methanolate
  参考文献：
  名称：

  Solid base catalysis of calcium glyceroxide for a reaction to convert vegetable oil into its methyl esters

  摘要：

  When calcium oxide is employed for transesterification of vegetable oil at reflux of methanol calcium oxide is turned into calcium glyceroxide by combining with glycerol of the by-product As well as calcium oxide calcium glyceroxide seemed to catalyze the vegetable oil transesterification In the present paper the solid base catalysis of calcium glyceroxide was investigated by IR spectroscopy using methanol as the molecular probe The measured spectra indicated that calcium glyceroxide was, combined with methanol at the temperature of 333 K Chemical composition of the produced calcium compound was estimated at CH(3)O-Ca-O(OH)(2)C(3)H(5) The IR spectrum of the calcium alkoxide indicated that hydrogen bond was formed among the glyceroxyl OH groups and methanol Data from the soybean oil transesterification which was carried out at 298 K elucidated that the calcium alkoxide functioned as the solid base catalyst At the same reaction temperature calcium glyceroxide did riot interact chemically with methanol and sent out only the homogeneous catalysis (C) 2010 Elsevier B V All rights reserved

  DOI：

  10.1016/j.apcata.2010.09.029
• 作为产物：
  描述：

  甘油 在 水 、 calcium oxide 作用下， 生成 calcium glyceroxide
  参考文献：
  名称：

  [EN] A GLYCEROL DERIVED MATERIAL
  [FR] MATÉRIAU DÉRIVÉ DU GLYCÉROL

  摘要：

  公开号：

  WO2010004501A3

文献信息

• Structural and surface study of calcium glyceroxide, an active phase for biodiesel production under heterogeneous catalysis
  作者：Laura León-Reina、Aurelio Cabeza、Jordi Rius、Pedro Maireles-Torres、Ana C. Alba-Rubio、Manuel López Granados

  DOI：10.1016/j.jcat.2012.12.016

  日期：2013.4

  Calcium diglyceroxide has been reported as a very active phase in the transesterification of triglycerides with methanol for biodiesel production. This work reports on the determination of the crystal structure of Ca diglyceroxide by Patterson-based direct methods from synchrotron X-ray powder diffraction (XRD) data in combination with characterisation by Differential Thermal Analysis-Thermogravimetry (DTA-TG), Scanning Electron Microscopy (SEM) and X-ray Photoelectron and Fourier Transform-Infrared spectroscopies (XPS and FT-IR). Its crystal structure is formed by molecular tetramers held together by a complex H-bond network. Both the XRD structural determination and the O1s XPS core level indicate the presence of a basic non-protonated O- anion at the surface of Ca diglyceroxide. Along with the presence of surface lipophilic CH units, this O- anion may be the origin of this molecule's high activity relative to CaO. (C) 2012 Elsevier Inc. All rights reserved.
• Improving methods of CaO transesterification activity
  作者：A. Esipovich、S. Danov、A. Belousov、A. Rogozhin

  DOI：10.1016/j.molcata.2014.08.011

  日期：2014.12

  The activation methods to improve the activity, basicity and stability of CaO as the catalyst for the transesterification of soybean oil have been investigated.It was determined that calcium glyceroxide complex is formed during the transesterification and acts as the most active phase. Moreover, it was observed that the catalytic activity of spent calcium oxide after transesterification was significantly increased comparing to the fresh catalyst. Thus, activation with glycerol is more efficient technique for the increasing of the CaO transesterification activity compare to the traditional techniques such as thermal treatment and activation with methanol. The synthesized calcium glyceroxide catalyst showed the highest catalytic activity. Under the study conditions, with a methanol to oil molar ratio of 9:1 and a reaction temperature of 60 degrees C 82.6% FAMEs yield was obtained within 120 min with only 1.3 wt.% (respect to the oil mass) of calcium glyceroxide. At same time, the FAMEs yield was only about 76.9% when CaO activated with methanol was used. (C) 2014 Elsevier B.V. All rights reserved.