cis-2-phenyl-5-stearoyloxy-[1,3]dioxane | 10588-88-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: cis-2-phenyl-5-stearoyloxy-[1,3]dioxane
• 英文别名: cis-2-phenyl-5-stearoyloxy-[1,3]dioxane；cis-2-Phenyl-5-stearoyloxy-[1,3]dioxan
• CAS: 10588-88-2
• 化学式: C₂₈H₄₆O₄
• 分子量: 446.671
• InChiKey: YWQNNPRTGZIYIP-DBAYTGFXSA-N

物化性质

• 熔点：
  70 °C
• 沸点：
  534.2±50.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.91
• 重原子数：
  32.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  甲醇 、 cis-2-phenyl-5-stearoyloxy-[1,3]dioxane 、 alkaline earth salt of/the/ methylsulfuric acid 生成 硬酯酸甲酯C18 、 trans-2-Phenyl-1,3-dioxan-5-ol
  参考文献：
  名称：

  Verkade; van Dijk; in t'Veld, Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 112,113,116

  摘要：

  DOI：
• 作为产物：
  描述：

  十八烷酰氯 、 trans-2-Phenyl-1,3-dioxan-5-ol 在 吡啶 作用下， 生成 cis-2-phenyl-5-stearoyloxy-[1,3]dioxane
  参考文献：
  名称：

  Stimmel; King, Journal of the American Chemical Society, 1934, vol. 56, p. 1725

  摘要：

  DOI：

文献信息

• Rapid access to structured triacylglycerols acylated with n-3 polyunsaturated fatty acids for nutritional applications
  作者：Emilie Vaique、Alexandre Guy、Leslie Couedelo、Isabelle Gosse、Thierry Durand、Maud Cansell、Sandra Pinet

  DOI：10.1016/j.tet.2010.09.070

  日期：2010.11

  In order to better understand the metabolic fate of n-3 polyunsaturated fatty acids (PUFAs), an efficient access to symmetrical and unsymmetrical triacylglycerols (TGs), esterified with PUFAs, with known high purity, is required. In this context, we optimized the esterification of a mixture of glycerols protected as dioxane and dioxolane with PUFAs. The kinetics of this reaction depends on various factors, such as the fatty acid chain length and the stereochemistry of the dioxane. Then, one-pot acetal hydrolysis and esterification of hydroxyl groups led to the desired structured TGs without either double bond isomerization or acyl migration (except when symmetrical TGs are acylated with long-chain saturated fatty acids in external positions). PUFAs location on the glycerol backbone was assayed by NMR, HPLC and pancreatic lipase hydrolysis. (C) 2010 Elsevier Ltd. All rights reserved.
• Stimmel; King, Journal of the American Chemical Society, 1934, vol. 56, p. 1725
  作者：Stimmel、King

  DOI：——

  日期：——
• Verkade; van Dijk; in t'Veld, Recueil des Travaux Chimiques des Pays-Bas, 1941, vol. 60, p. 112,113,116
  作者：Verkade、van Dijk、in t'Veld

  DOI：——

  日期：——