4-[4-(4-Methoxy-phenylethynyl)-phenyl]-2-methyl-but-3-yn-2-ol | 191094-10-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[4-(4-Methoxy-phenylethynyl)-phenyl]-2-methyl-but-3-yn-2-ol
• 英文别名: 4-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-2-methylbut-3-yn-2-ol
• CAS: 191094-10-7
• 化学式: C₂₀H₁₈O₂
• 分子量: 290.362
• InChiKey: YBSFSFLZYAFIST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[4-(4-Methoxy-phenylethynyl)-phenyl]-2-methyl-but-3-yn-2-ol 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.5h， 以91%的产率得到1-乙炔-4-((4-甲氧基苯基)乙炔)苯
  参考文献：
  名称：

  Synthesis of nanometer-sized homo- and heteroorganometallic tripodaphyrins

  摘要：

  Tripodaphyrins are tetrahedral or pyramidal assemblies in which a porphyrin macrocycle situated on the top of the molecule is ''supported'' by three ''legs'' consisting of linear arrays of covalently linked rigid constitutive elements. The edge-length at the ''base'' of the molecules which have been synthesized until now lies in the range from 3.2 to 6.5 nm. In some tripodaphyrins (3a-c) the chromophore situated on the top of the molecule differs on the complexed metal ion from the other three, which are located at the ends of the ''legs''. Owing to the dimensions of the molecules, no intramolecular interaction between the chromophores is observed, even in the presence of a paramagnetic Cu(II) chelate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00380-3
• 作为产物：
  描述：

  4-乙炔基苯甲醚 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四(三苯基膦)钯 、 三乙胺 作用下， 以 三乙胺 、 甲苯 为溶剂， 反应 30.0h， 生成 4-[4-(4-Methoxy-phenylethynyl)-phenyl]-2-methyl-but-3-yn-2-ol
  参考文献：
  名称：

  Synthesis of nanometer-sized homo- and heteroorganometallic tripodaphyrins

  摘要：

  Tripodaphyrins are tetrahedral or pyramidal assemblies in which a porphyrin macrocycle situated on the top of the molecule is ''supported'' by three ''legs'' consisting of linear arrays of covalently linked rigid constitutive elements. The edge-length at the ''base'' of the molecules which have been synthesized until now lies in the range from 3.2 to 6.5 nm. In some tripodaphyrins (3a-c) the chromophore situated on the top of the molecule differs on the complexed metal ion from the other three, which are located at the ends of the ''legs''. Owing to the dimensions of the molecules, no intramolecular interaction between the chromophores is observed, even in the presence of a paramagnetic Cu(II) chelate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00380-3