2-(4-Methylphenoxy)-acetessigsaeureethylester | 7699-84-5

• 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: 2-(4-Methylphenoxy)-acetessigsaeureethylester
• 英文别名: Ethyl 2-p-tolyloxyacetoacetate；ethyl 2-(4-methylphenoxy)-3-oxobutanoate
• CAS: 7699-84-5
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: NERWVRLQEALOCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-Methylphenoxy)-acetessigsaeureethylester 在 polyphosphoric acid 作用下， 反应 8.0h， 生成 3,5-二甲苯并呋喃-2-羧酸乙酯
  参考文献：
  名称：

  New One-Pot Synthesis of Polysubstituted Benzofurans and Benzo-1,4-dioxines

  摘要：

  It has been revealed that the copper(II) triflate catalyzed reaction of ethyl-2-diazo-3-oxobutanoate with phenols followed by cyclization of the intermediate enol in the presence of polyphosphoric acid is a simple and efficient method of synthesis of polysubstituted benzofurans. The use of pyrocatechol leads to the corresponding substituted 1,4-benzodioxine-2-carboxylates as major products.

  DOI：

  10.1134/s0012500818100051
• 作为产物：
  描述：

  对甲酚 、 重氮基乙酰乙酸乙酯 在 copper(II) bis(trifluoromethanesulfonate) 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 2-(4-Methylphenoxy)-acetessigsaeureethylester
  参考文献：
  名称：

  New One-Pot Synthesis of Polysubstituted Benzofurans and Benzo-1,4-dioxines

  摘要：

  It has been revealed that the copper(II) triflate catalyzed reaction of ethyl-2-diazo-3-oxobutanoate with phenols followed by cyclization of the intermediate enol in the presence of polyphosphoric acid is a simple and efficient method of synthesis of polysubstituted benzofurans. The use of pyrocatechol leads to the corresponding substituted 1,4-benzodioxine-2-carboxylates as major products.

  DOI：

  10.1134/s0012500818100051