(Z)-12-acetyloxyoctadec-9-enoic acid | 111766-70-2

• 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: (Z)-12-acetyloxyoctadec-9-enoic acid
• CAS: 111766-70-2
• 化学式: C₂₀H₃₆O₄
• 分子量: 340.503
• InChiKey: OZNJPDLVWMTLKB-RAXLEYEMSA-N

物化性质

• 沸点：
  433.8±28.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl acetyl ricinoleate 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 30.0 ℃ 、999.99 MPa 条件下， 反应 4.0h， 以99%的产率得到(Z)-12-acetyloxyoctadec-9-enoic acid
  参考文献：
  名称：

  Cleavage of esters under nearly neutral conditions at high pressure. Chemo- and regioselective hydrolysis in organic solvents

  摘要：

  Hydrolysis of esters proceeded at room temperature under high pressures in the presence of iPr2NEt or N-methylmorpholine using CH3CN-H2O (60:1) as the solvent. This very mild procedure enables the smooth hydrolysis of biologically important compounds such as amino esters, aliphatic unsaturated fatty esters, and beta-hydroxy esters; no racemization, no isomerization, and no side reactions take place.

  DOI：

  10.1021/jo00020a001

文献信息

• COMPOSITION INSECTIFUGE COMPRENANT UN OU PLUSIEURS ACIDE(S) GRAS INSECTIFUGE PRESENTANT ENTRE 9 ET 21 ATOMES DE CARBONE
  申请人：Evergreen Land Limited

  公开号：EP3772952A2

  公开（公告）日：2021-02-17
• [EN] INSECT-REPELLENT COMPOSITION COMPRISING ONE OR MORE INSECT-REPELLENT FATTY ACIDS WITH FROM 9 TO 21 CARBON ATOMS<br/>[FR] COMPOSITION INSECTIFUGE COMPRENANT UN OU PLUSIEURS ACIDE(S) GRAS INSECTIFUGE PRESENTANT ENTRE 9 ET 21 ATOMES DE CARBONE
  申请人：EVERGREEN LAND LTD

  公开号：WO2019193561A2

  公开（公告）日：2019-10-10

  L'invention concerne une composition insectifuge comprenant : - un composant insectifuge comprenant un ou plusieurs acide(s) gras présentant entre 9 et 21 atomes de carbone; - un solvant non aqueux; - moins de 1% en poids d'eau.
• Cleavage of esters under nearly neutral conditions at high pressure. Chemo- and regioselective hydrolysis in organic solvents
  作者：Yoshinori Yamamoto、Toshiaki Furuta、Jiro Matsuo、Tetsuro Kurata

  DOI：10.1021/jo00020a001

  日期：1991.9

  Hydrolysis of esters proceeded at room temperature under high pressures in the presence of iPr2NEt or N-methylmorpholine using CH3CN-H2O (60:1) as the solvent. This very mild procedure enables the smooth hydrolysis of biologically important compounds such as amino esters, aliphatic unsaturated fatty esters, and beta-hydroxy esters; no racemization, no isomerization, and no side reactions take place.