ethyl 5-(2-bromophenoxymethyl)-4-pyridazinecarboxylate

• 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-(2-bromophenoxymethyl)-4-pyridazinecarboxylate
• 英文别名: Ethyl 5-[(2-bromophenoxy)methyl]pyridazine-4-carboxylate
• 化学式: C₁₄H₁₃BrN₂O₃
• 分子量: 337.173
• InChiKey: AHZKNDUZBDOBBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 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-(2-bromophenoxymethyl)-4-pyridazinecarboxylate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以87.7%的产率得到5-(2-bromophenoxymethyl)-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 、 2-(2-bromophenoxy)acetic acid 在 ammonium peroxydisulfate 、 硫酸 、 silver nitrate 作用下， 以 水 、 甲苯 为溶剂， 反应 2.0h， 以41.8%的产率得到ethyl 5-(2-bromophenoxymethyl)-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.