dimethyl 6-(4-chlorobenzoyl)-2-phenyl-2,3-dihydropyridazine-3,4-dicarboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: dimethyl 6-(4-chlorobenzoyl)-2-phenyl-2,3-dihydropyridazine-3,4-dicarboxylate
• 英文别名: Dimethyl-6-(4-chlorobenzoyl)-2-phenyl-2,3-dihydropyridazine-3,4-dicarboxylate；dimethyl 6-(4-chlorobenzoyl)-2-phenyl-3H-pyridazine-3,4-dicarboxylate
• 化学式: C₂₁H₁₇ClN₂O₅
• 分子量: 412.829
• InChiKey: HJVXBYRVWJCMEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  85.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-dimethylamino-1(4-chloro-phenyl)-2-propen-1-one 在 盐酸 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成 dimethyl 6-(4-chlorobenzoyl)-2-phenyl-2,3-dihydropyridazine-3,4-dicarboxylate
  参考文献：
  名称：

  Reactions under Pressure: Synthesis of Functionally Substituted Arylhydrazonal Derivatives as Precursors of Novel Pyridazines and Nicotinates

  摘要：

  Q-tube assisted multicomponent synthesis of novel arylhydrazonals, pyridazines and nicotinates has been explored. The target molecules have been prepared via one pot reaction of arylhydrazonals with activated methylene nitriles in either ethanolic piperidine, dimethyl acetylene dicarboxylate (DMAD), 1,4-diazobicyclo[2.2.2]octane (DABCO), or Ph3P under pressure. Such conditions make reaction time much shorter and yields higher as compared with those conducted under conventional conditions. The structures of products have been determined by X-ray crystallography and spectroscopic methods.

  DOI：

  10.1134/s1070363220040234