(E)-ethyl 2,4,6-trimethyldec-2-enoate | 1203794-04-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-ethyl 2,4,6-trimethyldec-2-enoate
• 英文别名: ethyl (E)-2,4,6-trimethyldec-2-enoate
• CAS: 1203794-04-0
• 化学式: C₁₅H₂₈O₂
• 分子量: 240.386
• InChiKey: FHRQFLYHYIEYIP-SDNWHVSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙氧甲酰基乙基三苯基溴化膦 、 dimethyl-2,4 octanal 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以21%的产率得到(E)-ethyl 2,4,6-trimethyldec-2-enoate
  参考文献：
  名称：

  Making Mixtures to Solve Structures: Structural Elucidation via Combinatorial Synthesis

  摘要：

  A domino Horner-Wadsworth-Emmons olefination strategy has been used to prepare homologous series of (polyen)ones, and through combinatorial elaboration, corresponding families of highly branched hydrocarbons. Gas chromatography-mass spectrometry of the mixtures has enabled the rapid and unambiguous identification of several highly branched alkanes of geochemical importance. This is the first example of the use of combinatorial synthesis for the elucidation of structural connectivity.

  DOI：

  10.1021/cc900134t

文献信息

• Making Mixtures to Solve Structures: Structural Elucidation via Combinatorial Synthesis
  作者：Nigel A. Lengkeek、Paul F. Greenwood、Blake Nguyen、George A. Koutsantonis、Matthew J. Piggott

  DOI：10.1021/cc900134t

  日期：2010.1.11

  A domino Horner-Wadsworth-Emmons olefination strategy has been used to prepare homologous series of (polyen)ones, and through combinatorial elaboration, corresponding families of highly branched hydrocarbons. Gas chromatography-mass spectrometry of the mixtures has enabled the rapid and unambiguous identification of several highly branched alkanes of geochemical importance. This is the first example of the use of combinatorial synthesis for the elucidation of structural connectivity.