(E)-5-benzylidene-8-oxo-6-phenylnonyl-acetate | 1196971-99-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (E)-5-benzylidene-8-oxo-6-phenylnonyl-acetate
• 英文别名: (E)-5-benzylidene-8-oxyl-6-phenlnonyl-acetate；[(5E)-5-benzylidene-8-oxo-6-phenylnonyl] acetate
• CAS: 1196971-99-9
• 化学式: C₂₄H₂₈O₃
• 分子量: 364.485
• InChiKey: DMRDZWIFWHQVQP-PTGBLXJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-phenylhex-5-yn-1-yl acetate 、 苄叉丙酮 在 甲醇 、 bis(1,5-cyclooctadiene)nickel (0) 、 三环己基膦 作用下， 以 四氢呋喃 为溶剂， 以47%的产率得到(E)-5-benzylidene-8-oxo-6-phenylnonyl-acetate
  参考文献：
  名称：

  Evolution of Efficient Strategies for Enone−Alkyne and Enal−Alkyne Reductive Couplings

  摘要：

  Strategies for the reductive coupling of enones or enals with alkynes have been developed. The reducing agents employed include organozincs, organoboranes, organosilanes, and methanol. The latter of these strategies is simple, cost-effective, and tolerant of many functional groups. Isotopic labeling strategies have provided supporting evidence for the mechanistic proposals.

  DOI：

  10.1021/ja9083607

文献信息

• Evolution of Efficient Strategies for Enone−Alkyne and Enal−Alkyne Reductive Couplings
  作者：Wei Li、Ananda Herath、John Montgomery

  DOI：10.1021/ja9083607

  日期：2009.11.25

  Strategies for the reductive coupling of enones or enals with alkynes have been developed. The reducing agents employed include organozincs, organoboranes, organosilanes, and methanol. The latter of these strategies is simple, cost-effective, and tolerant of many functional groups. Isotopic labeling strategies have provided supporting evidence for the mechanistic proposals.