(+/-)-1-[5-[1-methylethyl]-2H,5H-dihydrofuran-3-yl]ethanone | 1198272-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: (+/-)-1-[5-[1-methylethyl]-2H,5H-dihydrofuran-3-yl]ethanone
• 英文别名: 1-(5-Propan-2-yl-2,5-dihydrofuran-3-yl)ethanone
• CAS: 1198272-61-5
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: BAWAAGPMLMIYDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  在 盐酸 作用下， 以 水 为溶剂， 以0.256 g的产率得到(+/-)-1-[5-[1-methylethyl]-2H,5H-dihydrofuran-3-yl]ethanone
  参考文献：
  名称：

  Synthesis of novel 2H,5H-dihydrofuran-3-yl ketones via ISNC reactions

  摘要：

  Unique 1-[2H,5H-dihydrofur-3-yl]ketones have been synthesized from propargylic nitroethers via intramolecular cycloadditions involving silyl nitronates Various substituent groups were placed on the 2 and 5 positions of the dihydrofuran rings We examined the scope of the long-range Coupling in proton NMR of the oxo-dihydrofuran products The identities of the diastereomers resulting from the Michael addition/cycloaddition reactions were tentatively assigned for the first time CAChe MNDO PM5 and CONFLEX programs were engaged to assist with the identification of these stereoisomers. The reaction times and conditions for those oxo-dihydrofurans were found to be different than that of the published dihydrofuranals. which led us to propose a different mechanism. (C) 2009 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.tetlet.2009.08.110