ethyl 5-phenoxymethyl-4-pyridazinecarboxylate | 170165-03-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 5-phenoxymethyl-4-pyridazinecarboxylate
• 英文别名: Ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
• CAS: 170165-03-4
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: VHOUYFOITICJFE-UHFFFAOYSA-N

物化性质

• 沸点：
  456.8±35.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 5-phenoxymethyl-4-pyridazinecarboxylate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以92.2%的产率得到5-phenoxymethyl-4-pyridazinecarboxylic acid
  参考文献：
  名称：

  Pyridazines, 74. Synthesis of Novel 4,5-Disubstituted Pyridazines by Homolytic Substitution and Structure Determination of Unexpected Reaction Products

  摘要：

  Synthesis of the 5-aryloxymethyl-4-pyridazinecarboxylic acid derivatives (1a-d) and of the analogous thioethers (1e,f) by radical reactions in a two-phase system is reported. The stereochemical assignment of unexpected dimeric reaction products formed in the absence of an organic layer is presented.

  DOI：

  10.3987/com-95-7067
• 作为产物：
  描述：

  哒嗪-4-甲酸乙酯 、 苯氧乙酸 在 ammonium peroxydisulfate 、 硫酸 、 silver nitrate 作用下， 以 水 、 甲苯 为溶剂， 反应 2.0h， 以72%的产率得到ethyl 5-phenoxymethyl-4-pyridazinecarboxylate
  参考文献：
  名称：

  Pyridazines, 74. Synthesis of Novel 4,5-Disubstituted Pyridazines by Homolytic Substitution and Structure Determination of Unexpected Reaction Products

  摘要：

  Synthesis of the 5-aryloxymethyl-4-pyridazinecarboxylic acid derivatives (1a-d) and of the analogous thioethers (1e,f) by radical reactions in a two-phase system is reported. The stereochemical assignment of unexpected dimeric reaction products formed in the absence of an organic layer is presented.

  DOI：

  10.3987/com-95-7067

文献信息

• Pyridazines, 74. Synthesis of Novel 4,5-Disubstituted Pyridazines by Homolytic Substitution and Structure Determination of Unexpected Reaction Products
  作者：Gottfried Heinisch、Barbara Matuszczak、Kurt Mereiter、Josef Soder

  DOI：10.3987/com-95-7067

  日期：——

  Synthesis of the 5-aryloxymethyl-4-pyridazinecarboxylic acid derivatives (1a-d) and of the analogous thioethers (1e,f) by radical reactions in a two-phase system is reported. The stereochemical assignment of unexpected dimeric reaction products formed in the absence of an organic layer is presented.