4,6-diethynyldibenzofuran | 209254-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4,6-diethynyldibenzofuran
• CAS: 209254-89-7
• 化学式: C₁₆H₈O
• 分子量: 216.239
• InChiKey: IFBNGDZHASJYQX-UHFFFAOYSA-N

物化性质

• 沸点：
  372.089±22.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.235±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• 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

• 作为反应物：
  描述：

  4,6-diethynyldibenzofuran 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[5-[2-[6-[2-[6-amino-9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]purin-8-yl]ethynyl]dibenzofuran-4-yl]ethynyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
  参考文献：
  名称：

  Design, Synthesis, and Self-Assembly of “Artificial Dinucleotide Duplexes”

  摘要：

  The synthesis of the A-U and G-C functionalized systems 1, 2, 3, and 4 has been accomplished using palladium-mediated cross-coupling reactions. These systems undergo self-association in nonpolar solvents such as CDCl3 as judged from FABMS and NMR spectroscopic analyses.

  DOI：

  10.1021/jo980194p
• 作为产物：
  描述：

  4,6-二碘二苯并呋喃 在 四(三苯基膦)钯 potassium fluoride 、 copper(l) iodide 、 三乙胺 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 18.0h， 生成 4,6-diethynyldibenzofuran
  参考文献：
  名称：

  Design, Synthesis, and Self-Assembly of “Artificial Dinucleotide Duplexes”

  摘要：

  The synthesis of the A-U and G-C functionalized systems 1, 2, 3, and 4 has been accomplished using palladium-mediated cross-coupling reactions. These systems undergo self-association in nonpolar solvents such as CDCl3 as judged from FABMS and NMR spectroscopic analyses.

  DOI：

  10.1021/jo980194p

文献信息

• Design, Synthesis, and Self-Assembly of “Artificial Dinucleotide Duplexes”
  作者：Jonathan L. Sessler、Ruizheng Wang

  DOI：10.1021/jo980194p

  日期：1998.6.1

  The synthesis of the A-U and G-C functionalized systems 1, 2, 3, and 4 has been accomplished using palladium-mediated cross-coupling reactions. These systems undergo self-association in nonpolar solvents such as CDCl3 as judged from FABMS and NMR spectroscopic analyses.