1-[2-(3,4-Dimethylphenyl)ethynyl]-4-methoxy-2-methylbenzene | 1146207-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[2-(3,4-Dimethylphenyl)ethynyl]-4-methoxy-2-methylbenzene
• 英文别名: 1-[2-(3,4-dimethylphenyl)ethynyl]-4-methoxy-2-methylbenzene
• CAS: 1146207-92-2
• 化学式: C₁₈H₁₈O
• 分子量: 250.34
• InChiKey: STGFRRCIKMYZDE-UHFFFAOYSA-N

物化性质

• 沸点：
  397.0±42.0 °C(predicted)
• 密度：
  1.05±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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-乙炔基-4-甲氧基-2-甲基苯 、 4,5-dimethyl-2-(trimethylsilyl)phenyl triflate 在 copper(l) iodide 、 cesium fluoride 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 0.5h， 以97%的产率得到1-[2-(3,4-Dimethylphenyl)ethynyl]-4-methoxy-2-methylbenzene
  参考文献：
  名称：

  Copper-catalyzed alkyne–aryne coupling reaction under microwave conditions: preparation of unsymmetric and symmetric di-substituted alkynes

  摘要：

  Several unsymmetric and symmetric alkynes were prepared excellent to modest yields by generating benzyne from the reaction of 2-(trimethylsilyl)phenyl triflate with CsF in the presence of Cul and terminal alkyne under microwave heating for 30 min at 150 degrees C. Using conventional heating, the reactions required 24 h reaction time. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.033

文献信息

• Copper-catalyzed alkyne–aryne coupling reaction under microwave conditions: preparation of unsymmetric and symmetric di-substituted alkynes
  作者：Shashidhar Kumar Akubathini、Ed Biehl

  DOI：10.1016/j.tetlet.2009.02.033

  日期：2009.4

  Several unsymmetric and symmetric alkynes were prepared excellent to modest yields by generating benzyne from the reaction of 2-(trimethylsilyl)phenyl triflate with CsF in the presence of Cul and terminal alkyne under microwave heating for 30 min at 150 degrees C. Using conventional heating, the reactions required 24 h reaction time. (C) 2009 Elsevier Ltd. All rights reserved.