Isobutyric acid 10-hydroxy-decyl ester | 137174-91-5

• 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: Isobutyric acid 10-hydroxy-decyl ester
• 英文别名: 10-Hydroxydecyl 2-methylpropanoate
• CAS: 137174-91-5
• 化学式: C₁₄H₂₈O₃
• 分子量: 244.375
• InChiKey: XSVVIBXYWQHOOK-UHFFFAOYSA-N

物化性质

• 沸点：
  323.0±15.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4S)-4-[[(2S)-2-[[(2S)-2-(11-bromoundecanoylamino)propanoyl]amino]propanoyl]amino]-5-dodecoxy-5-oxopentanoic acid 、 Isobutyric acid 10-hydroxy-decyl ester 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  扭转应变机制来调整超分子螺旋的螺距。

  摘要：

  DOI：

  10.1002/anie.200701328
• 作为产物：
  描述：

  1,10-癸二醇 、 异丁酰氯 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Isobutyric acid 10-hydroxy-decyl ester
  参考文献：
  名称：

  扭转应变机制来调整超分子螺旋的螺距。

  摘要：

  DOI：

  10.1002/anie.200701328

文献信息

• Highly selective monoacylation of symmetric diols catalyzed by metal sulfates supported on silica gel
  作者：Takeshi Nishiguchi、Katsumi Kawamine、Tomoko Ohtsuka

  DOI：10.1021/jo00027a054

  日期：1992.1

  Several 1,n-diols, ranging from 1,2-ethanediol to 1,16-hexadecanediol, were monoacylated with high selectivity by reaction with esters in the presence of metal sulfates or hydrogen sulfates, like Ce(SO4)2 and NaHSO4, supported on silica gel. Symmetrical secondary diols were also selectively monoformylated, by reaction with ethyl formate. This method of selective esterification is simple and practical. The yield of monoester depends upon both the composition and the volume of the solvent (an ester/alkane mixture). Unsupported NaHSO4 also catalyzed monoacylation, but the selectivity was less than in monoacylations catalyzed by the supported reagent. The selectivity can be explained by the following reasons: (1) monoacylated products are formed selectively because the diol, but not the monoester, is preferentially adsorbed on the surface of the catalysts, where esterification then occurs, and (2) thin diol layers are formed on the surface of the catalysts due to limited solubility of the diols in the solvent.