[(2R)-2-ethylhexyl] 3-(2-hydroxyphenyl)propanoate | 1418196-09-4

• 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: [(2R)-2-ethylhexyl] 3-(2-hydroxyphenyl)propanoate
• CAS: 1418196-09-4
• 化学式: C₁₇H₂₆O₃
• 分子量: 278.392
• InChiKey: CBHXGKXWROAOLE-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (2E)-3-(2-benzyloxy-phenyl)-acrylic acid ethyl ester 在 4-二甲氨基吡啶 、 barium hydroxide octahydrate 、 10% Pd/C 、 2-甲基-6-硝基苯甲酸酐 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 11.0h， 生成 [(2R)-2-ethylhexyl] 3-(2-hydroxyphenyl)propanoate
  参考文献：
  名称：

  Synthesis of the Structure Proposed for Natural Meliloester

  摘要：

  In an attempt to establish the absolute configuration of meliloester, a natural product isolated from Melilotus alba, the literature structure was synthesized in an enantiopure form. Unexpectedly, the H-1 and C-13 NMR data was completely incompatible with those reported for the natural product. The corresponding m-hydroxy isomer was also excluded as the structure for the natural product.

  DOI：

  10.1055/s-0032-1316776

文献信息

• Synthesis of the Structure Proposed for Natural Meliloester
  作者：Yikang Wu、Yan Li、Lu Ding、Zhong-Han Li、Xiao-Wei Lu

  DOI：10.1055/s-0032-1316776

  日期：——

  In an attempt to establish the absolute configuration of meliloester, a natural product isolated from Melilotus alba, the literature structure was synthesized in an enantiopure form. Unexpectedly, the H-1 and C-13 NMR data was completely incompatible with those reported for the natural product. The corresponding m-hydroxy isomer was also excluded as the structure for the natural product.