4-phenyl-3,6-di(pyridine-4-yl)pyridazine | 1224741-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-phenyl-3,6-di(pyridine-4-yl)pyridazine
• 英文别名: 4-Phenyl-3,6-dipyridin-4-ylpyridazine；4-phenyl-3,6-dipyridin-4-ylpyridazine
• CAS: 1224741-56-3
• 化学式: C₂₀H₁₄N₄
• 分子量: 310.358
• InChiKey: SZWSBFRJNDFCLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,6-二-4-吡啶基-1,2,4,5-四嗪 、 苯乙炔 以 N,N-二甲基甲酰胺 为溶剂， 以88.6%的产率得到4-phenyl-3,6-di(pyridine-4-yl)pyridazine
  参考文献：
  名称：

  新型哒嗪衍生物的合成、晶体结构和生物学评价

  摘要：

  摘要 一系列功能化哒嗪衍生物 (1-10) 4-苯基-3,6-二(吡啶-4-基)哒嗪 (1), 3-(3,6-二(吡啶-4-基)哒嗪- 4-基)苯胺 (2), 4-(pyridin-3-yl)-3,6-di(pyridin-4-yl)pyridazine (3), 3,6-di(pyridin-4-yl)-4 -(thiophen-2-yl)pyridazine (4), 6-methyl-1,4-di(pyridin-4-yl)-5H-pyrrolo[3,4-d]pyridazine-5,7(6H)-dione (5), 4-苯基-3,6-二(吡啶-3-基)哒嗪 (6), 3-(3,6-二(吡啶-4-基)哒嗪-3-基)苯胺 (7) , 3,4,6-tri(pyridin-3-yl)pyridazine (8), 3,6-di(pyridin-3-yl)-4-(thiophen-2-yl)pyridazine

  DOI：

  10.1016/j.molstruc.2019.127084

文献信息

• Pyridazines in Crystal Engineering. A Systematic Evaluation of the Role of Isomerism and Steric Factors in Determining Crystal Packing and Nano/Microcrystal Morphologies
  作者：Sunil Varughese、Sylvia M. Draper

  DOI：10.1021/cg9015383

  日期：2010.6.2

  The present study focuses on understanding hydrogen bond patterns in a series of variably substituted pyridyl-pyridazines as a function of positional isomerism and steric factors. A relatively uncommon multiple hydrogen bond acceptor nature of pyridazine has been observed in the di- and tripyridazinc compounds. With increasing aromatic substitution and thereby steric hindrance, a systematic transition has been observed from close-packed to porous solvated assemblies. Distinct morphologies of the organic nano/microparticles, obtained by the precipitation method, indicate that the molecules interact with the solvent system in different ways.