2,4-Diethynyl-furan | 189458-05-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2,4-Diethynyl-furan
• 英文别名: 2,4-Diethynylfuran；2,4-diethynylfuran
• CAS: 189458-05-7
• 化学式: C₈H₄O
• 分子量: 116.119
• InChiKey: AOTUYKVTEQHCDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,4-Bis-trimethylsilanylethynyl-furan 在 氢氧化钾 作用下， 以 甲醇 、 乙醚 为溶剂， 生成 2,4-Diethynyl-furan
  参考文献：
  名称：

  Photoelectron Spectroscopy Study of Orbital Interactions. Ethynylfurans

  摘要：

  He I and He II photoelectron spectra (UPS) of isomeric mono- and bis(ethynyl)furans were recorded. The assignment of spectra was based on empirical considerations (bandwidths, He II/He I intensity variations, comparison with spectra of related molecules) and ab initio calculations. The details of orbital interactions between the ring and ethynyl st orbitals were deduced solely on the basis of experimental data. These interactions were studied for several classes of it isoelectronic molecules.

  DOI：

  10.1021/jp963901w