2,4,6-tri-hex-1-ynyl-phenol | 859510-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4,6-tri-hex-1-ynyl-phenol
• 英文别名: 2,4,6-Tris(hex-1-ynyl)phenol；2,4,6-tris(hex-1-ynyl)phenol
• CAS: 859510-33-1
• 化学式: C₂₄H₃₀O
• 分子量: 334.502
• InChiKey: WHQQMGKEFHOTNU-UHFFFAOYSA-N

物化性质

• 沸点：
  491.1±45.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,4,6-tri-hex-1-ynyl-phenol 、 一氧化碳 在 双(乙腈)氯化钯(II) 二苯基-2-吡啶膦 、 cesium acetate 、 silver(I) 4-methylbenzenesulfonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以81%的产率得到2-butyl-5,7-di-hex-1-ynyl-benzofuran-3-carboxylic acid
  参考文献：
  名称：

  Novel Pd^II-Mediated Cascade Carboxylative Annulation to Construct Benzo[b]furan-3-carboxylic Acids

  摘要：

  Benzo[b]furan-3-carboxylic acid (2) was generated from 1 by forming three new bonds in one step via a Pd-II-mediated cascade carboxylative annulation. The proposed mechanism was supported by the observation of an unusual acetylation of 1 as a side reaction together with an O-18-labeling study.

  DOI：

  10.1021/ol050876g
• 作为产物：
  描述：

  2,4,6-三碘苯酚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 三乙胺 、 肼 作用下， 生成 2,4,6-tri-hex-1-ynyl-phenol
  参考文献：
  名称：

  Novel Pd^II-Mediated Cascade Carboxylative Annulation to Construct Benzo[b]furan-3-carboxylic Acids

  摘要：

  Benzo[b]furan-3-carboxylic acid (2) was generated from 1 by forming three new bonds in one step via a Pd-II-mediated cascade carboxylative annulation. The proposed mechanism was supported by the observation of an unusual acetylation of 1 as a side reaction together with an O-18-labeling study.

  DOI：

  10.1021/ol050876g

文献信息

• Novel Pd^II-Mediated Cascade Carboxylative Annulation to Construct Benzo[<i>b</i>]furan-3-carboxylic Acids
  作者：Yun Liao、Jennifer Smith、Reza Fathi、Zhen Yang

  DOI：10.1021/ol050876g

  日期：2005.6.1

  Benzo[b]furan-3-carboxylic acid (2) was generated from 1 by forming three new bonds in one step via a Pd-II-mediated cascade carboxylative annulation. The proposed mechanism was supported by the observation of an unusual acetylation of 1 as a side reaction together with an O-18-labeling study.