3-(3,4-dihydroxyphenyl)propyl cis-5,8,11,14,17-eicosapentaenoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-(3,4-dihydroxyphenyl)propyl cis-5,8,11,14,17-eicosapentaenoate
• 英文别名: 3-(3,4-dihydroxyphenyl)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
• 化学式: C₂₉H₄₀O₄
• 分子量: 452.634
• InChiKey: DTGHTKQRYBKHNN-JLNKQSITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  33
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(3-羟基丙基)-1,2-苯二酚 、 EPA乙酯 在 Novozym 435 作用下， 以97%的产率得到3-(3,4-dihydroxyphenyl)propyl cis-5,8,11,14,17-eicosapentaenoate
  参考文献：
  名称：

  Efficient lipase-catalyzed synthesis of new lipid antioxidants based on a catechol structure

  摘要：

  Lipid antioxidants phenolic saturated fatty acid esters were synthesized in high yields and short reaction times using the corresponding ethyl fatty acid esters, lipase from Candida Antarctica, vacuum and no solvent. Phenolic esters with mono- and polyunsaturated fatty acids (EPA and DHA) were also prepared. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.100

文献信息

• Efficient lipase-catalyzed synthesis of new lipid antioxidants based on a catechol structure
  作者：A. Torres de Pinedo、P. Peñalver、D. Rondón、J.C. Morales

  DOI：10.1016/j.tet.2005.05.100

  日期：2005.8

  Lipid antioxidants phenolic saturated fatty acid esters were synthesized in high yields and short reaction times using the corresponding ethyl fatty acid esters, lipase from Candida Antarctica, vacuum and no solvent. Phenolic esters with mono- and polyunsaturated fatty acids (EPA and DHA) were also prepared. (c) 2005 Elsevier Ltd. All rights reserved.