2-hydroxy-1-(dodecyloxymethyl)ethyl decanoate | 457653-69-9

• 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-hydroxy-1-(dodecyloxymethyl)ethyl decanoate
• 英文别名: (1-Dodecoxy-3-hydroxypropan-2-yl) decanoate；(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
• CAS: 457653-69-9
• 化学式: C₂₅H₅₀O₄
• 分子量: 414.67
• InChiKey: SODHEXPYOZXMLG-UHFFFAOYSA-N

物化性质

• 熔点：
  34-36 °C
• 沸点：
  508.9±30.0 °C(Predicted)
• 密度：
  0.923±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.97
• 重原子数：
  29.0
• 可旋转键数：
  23.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-1-(dodecyloxymethyl)ethyl decanoate 在 palladium on activated charcoal 、 碳酸氢钠 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl 、 sodium hypochlorite 、 氢气 、 三氟乙酸 、 sodium bromide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 26.42h， 生成 4-(decanoyloxy)-5-(dodecyloxy)pentanoic acid
  参考文献：
  名称：

  Synthesis of Lipophilic Aldehydes and Study of Their Inhibition Effect on Human Digestive Lipases

  摘要：

  [GRAPHICS]Novel inhibitors of human digestive lipases, aldehyde dialkyl and alkyl-acyl glycerol analogues, were developed. The inhibitors were prepared starting from 3-(benzyloxy)-1,2-propanediol. The inhibition of human pancreatic and gastric lipases by the aldehyde derivatives was studied using the monolayer technique. (1R)-1-[(Dodecyloxy)methyl]-4-oxobutyl decanoate caused a 50% decrease in HPL and HGL activities at 0.100 and 0.053 molar fractions, respectively.

  DOI：

  10.1021/ol026039l
• 作为产物：
  描述：

  正癸酸 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 29.5h， 生成 2-hydroxy-1-(dodecyloxymethyl)ethyl decanoate
  参考文献：
  名称：

  Synthesis of Lipophilic Aldehydes and Study of Their Inhibition Effect on Human Digestive Lipases

  摘要：

  [GRAPHICS]Novel inhibitors of human digestive lipases, aldehyde dialkyl and alkyl-acyl glycerol analogues, were developed. The inhibitors were prepared starting from 3-(benzyloxy)-1,2-propanediol. The inhibition of human pancreatic and gastric lipases by the aldehyde derivatives was studied using the monolayer technique. (1R)-1-[(Dodecyloxy)methyl]-4-oxobutyl decanoate caused a 50% decrease in HPL and HGL activities at 0.100 and 0.053 molar fractions, respectively.

  DOI：

  10.1021/ol026039l

文献信息

• Synthesis of Lipophilic Aldehydes and Study of Their Inhibition Effect on Human Digestive Lipases
  作者：Stavroula Kotsovolou、Robert Verger、George Kokotos

  DOI：10.1021/ol026039l

  日期：2002.8.1

  [GRAPHICS]Novel inhibitors of human digestive lipases, aldehyde dialkyl and alkyl-acyl glycerol analogues, were developed. The inhibitors were prepared starting from 3-(benzyloxy)-1,2-propanediol. The inhibition of human pancreatic and gastric lipases by the aldehyde derivatives was studied using the monolayer technique. (1R)-1-[(Dodecyloxy)methyl]-4-oxobutyl decanoate caused a 50% decrease in HPL and HGL activities at 0.100 and 0.053 molar fractions, respectively.