meso-5,5'-(1,2-diphenoxy-1,2-ethanediyl)bis-4-pyridazinecarboxylic acid ethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: meso-5,5'-(1,2-diphenoxy-1,2-ethanediyl)bis-4-pyridazinecarboxylic acid ethyl ester
• 英文别名: Ethyl 5-[2-(5-ethoxycarbonylpyridazin-4-yl)-1,2-diphenoxyethyl]pyridazine-4-carboxylate
• 化学式: C₂₈H₂₆N₄O₆
• 分子量: 514.538
• InChiKey: JLJOQIWNEFUDEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 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 为溶剂， 反应 2.0h， 以2.2%的产率得到rac-5,5'-(1,2-diphenoxy-1,2-ethanediyl)bis-4-pyridazinecarboxylic acid ethyl ester
  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.