1-(oct-1-ynyl)-3-phenyl-1H-isochromene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-(oct-1-ynyl)-3-phenyl-1H-isochromene
• 英文别名: 1-oct-1-ynyl-3-phenyl-1H-isochromene
• 化学式: C₂₃H₂₄O
• 分子量: 316.443
• InChiKey: AQRCMTJQPQPTDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-辛炔 、 2-苯基乙炔基苯甲醛 在 (trimethylphosphine)gold(I) chloride2 N,N-二异丙基乙胺 作用下， 以 水 、 甲苯 为溶剂， 反应 24.0h， 以16%的产率得到1-(oct-1-ynyl)-3-phenyl-1H-isochromene
  参考文献：
  名称：

  Water-Triggered and Gold(I)-Catalyzed Cascade Addition/Cyclization of Terminal Alkynes with ortho-Alkynylaryl Aldehyde

  摘要：

  A highly efficient alkynylation-cyclization of terminal alkynes with ortho-alkynylaryl aldehydes leading to 1-alkynyl-1H-isochromenes was developed by using a gold-phosphine complex as catalyst in water. The reaction was dually promoted by an electron-donating phosphine ligand and water and was chelation-controlled.

  DOI：

  10.1021/ol060645p

文献信息

• Water-Triggered and Gold(I)-Catalyzed Cascade Addition/Cyclization of Terminal Alkynes with <i>o</i><i>rtho</i>-Alkynylaryl Aldehyde
  作者：Xiaoquan Yao、Chao-Jun Li

  DOI：10.1021/ol060645p

  日期：2006.4.1

  A highly efficient alkynylation-cyclization of terminal alkynes with ortho-alkynylaryl aldehydes leading to 1-alkynyl-1H-isochromenes was developed by using a gold-phosphine complex as catalyst in water. The reaction was dually promoted by an electron-donating phosphine ligand and water and was chelation-controlled.