(R)-2-(((2S,4R)-4-ethyltetrahydro-2-methyl-5-oxofuran-2-yl)methyl)butanoic acid | 1180517-16-1

• 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: (R)-2-(((2S,4R)-4-ethyltetrahydro-2-methyl-5-oxofuran-2-yl)methyl)butanoic acid
• 英文别名: (2R)-2-[[(2S,4R)-4-ethyl-2-methyl-5-oxooxolan-2-yl]methyl]butanoic acid
• CAS: 1180517-16-1
• 化学式: C₁₂H₂₀O₄
• 分子量: 228.288
• InChiKey: FMNAPESXBHQPAD-LNLATYFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  (2R,6R)-2,6-diethyl-4-methyleneheptanedioic acid 在 三氟乙酸 作用下， 生成 (R)-2-(((2S,4R)-4-ethyltetrahydro-2-methyl-5-oxofuran-2-yl)methyl)butanoic acid 、 (R)-2-(((2R,4R)-4-ethyltetrahydro-2-methyl-5-oxofuran-2-yl)methyl)butanoic acid
  参考文献：
  名称：

  Synthesis of Plakortethers F and G

  摘要：

  Synthesis of plakortethers F and G has been performed by taking advantage of the symmetry in the structure. The structures of the prepared compounds have been confirmed by COSY, 1D NOE, and chemical transformation studies. The synthetic plakortether F was found to match the natural product by all physical data. The synthetic plakortether G exhibited several disagreements in C-13 NMR data with the reported values. However, on the basis of an extremely close match in appearance of its H-1 NMR spectrum to the obtained H-1 NMR spectrum of the natural product, as well as matching optical rotations, the two compounds are believed to be identical.

  DOI：

  10.1021/jo901203s

文献信息

• Synthesis of Plakortethers F and G
  作者：Jinu P. John、Joshua Jost、Alexei V. Novikov

  DOI：10.1021/jo901203s

  日期：2009.8.21

  Synthesis of plakortethers F and G has been performed by taking advantage of the symmetry in the structure. The structures of the prepared compounds have been confirmed by COSY, 1D NOE, and chemical transformation studies. The synthetic plakortether F was found to match the natural product by all physical data. The synthetic plakortether G exhibited several disagreements in C-13 NMR data with the reported values. However, on the basis of an extremely close match in appearance of its H-1 NMR spectrum to the obtained H-1 NMR spectrum of the natural product, as well as matching optical rotations, the two compounds are believed to be identical.