3-Ethoxy-2-(2-hydroxypropan-2-yl)phenol | 1404070-50-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Ethoxy-2-(2-hydroxypropan-2-yl)phenol
• 英文别名: 3-ethoxy-2-(2-hydroxypropan-2-yl)phenol
• CAS: 1404070-50-3
• 化学式: C₁₁H₁₆O₃
• 分子量: 196.246
• InChiKey: ZQGFRUPGBKEIQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Ethoxy-2-(2-hydroxypropan-2-yl)phenol 在 4-甲基苯磺酸吡啶 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 以79%的产率得到C₁₁H₁₄O₂
  参考文献：
  名称：

  Synthesis of Coumarins via Pd-Catalyzed Oxidative Cyclocarbonylation of 2-Vinylphenols

  摘要：

  Palladium-catalyzed oxidative cyclocarbonylation of 2-vinylphenols constitutes a simple, direct method for the synthesis of coumarins. The reaction conditions, employing low pressures of CO, and air or 1,4- benzoquinone as the oxidant, are attractive in terms of environmental considerations and operational simplicity. Coumarins with a variety of functional groups were prepared in yields up to 85%.

  DOI：

  10.1021/ol302725x
• 作为产物：
  描述：

  6-乙氧基-2-羟基乙酰苯 、 甲基溴化镁 在 氯化铵 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 反应 3.0h， 以100%的产率得到3-Ethoxy-2-(2-hydroxypropan-2-yl)phenol
  参考文献：
  名称：

  Synthesis of Coumarins via Pd-Catalyzed Oxidative Cyclocarbonylation of 2-Vinylphenols

  摘要：

  Palladium-catalyzed oxidative cyclocarbonylation of 2-vinylphenols constitutes a simple, direct method for the synthesis of coumarins. The reaction conditions, employing low pressures of CO, and air or 1,4- benzoquinone as the oxidant, are attractive in terms of environmental considerations and operational simplicity. Coumarins with a variety of functional groups were prepared in yields up to 85%.

  DOI：

  10.1021/ol302725x

文献信息

• Synthesis of Coumarins via Pd-Catalyzed Oxidative Cyclocarbonylation of 2-Vinylphenols
  作者：Jamie Ferguson、Fanlong Zeng、Howard Alper

  DOI：10.1021/ol302725x

  日期：2012.11.2

  Palladium-catalyzed oxidative cyclocarbonylation of 2-vinylphenols constitutes a simple, direct method for the synthesis of coumarins. The reaction conditions, employing low pressures of CO, and air or 1,4- benzoquinone as the oxidant, are attractive in terms of environmental considerations and operational simplicity. Coumarins with a variety of functional groups were prepared in yields up to 85%.