1,4-bis-(5-octyloxypyrimidin-2-yl)benzene | 654671-07-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-bis-(5-octyloxypyrimidin-2-yl)benzene
• 英文别名: 1,4-bis(5-octyloxypyrimidin-2-yl)benzene；1,4-Bis-(5-octyloxypyrimidin-2-yl)-benzene；5-octoxy-2-[4-(5-octoxypyrimidin-2-yl)phenyl]pyrimidine
• CAS: 654671-07-5
• 化学式: C₃₀H₄₂N₄O₂
• 分子量: 490.689
• InChiKey: LRTQVBWYTDOHKF-UHFFFAOYSA-N

物化性质

• 沸点：
  516.3±50.0 °C(Predicted)
• 密度：
  1.039±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  36
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  70
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  potassium tetrachloropalladate(II) 、 1,4-bis-(5-octyloxypyrimidin-2-yl)benzene 以 溶剂黄146 为溶剂， 以74%的产率得到[palladium(dichloro)(1,4-bis(5-octyloxypyrimidin-2-yl)benzene)]
  参考文献：
  名称：

  Cyclometallated nitrogen heterocycles

  摘要：

  The cyclometallation of four different classes of nitrogen heterocycle (pyridazine, tetrazines, pyrazines and pyrimidines) by palladium and platinum has been studied. Pyridazines readily form singly and doubly cyclometallated compounds, whilst pyrazines only metallate once. Both tetrazines and pyrimidines readily metallate once and doubly metallated species have been identified in solution. The use of trans-cyclometallating reagents based on benzylamine and Schiff's base ligands was also studied: considerable promise was shown by a benzylamine compound. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.08.038
• 作为产物：
  描述：

  terephthalamidine dihydrochloride 在 氢氧化钾 、 硫酸 、 sodium methylate 作用下， 以 甲醇 、 乙二醇乙醚 为溶剂， 反应 13.0h， 生成 1,4-bis-(5-octyloxypyrimidin-2-yl)benzene
  参考文献：
  名称：

  Synthesis and liquid crystal properties of substituted 1,4-bis(pyrimidin-2-yl)benzenes

  摘要：

  DOI：

  10.1007/bf00473867

文献信息

• Synthesis and liquid crystal properties of substituted 1,4-bis(pyrimidin-2-yl)benzenes
  作者：M. A. Mikhaleva、T. A. Kizner、N. I. Chernova、M. V. Loseva、G. A. Kolesnichenko、A. Z. Rabinovich、A. E. Kuznetsova、V. P. Mamaev

  DOI：10.1007/bf00473867

  日期：1989.12
• Cyclometallated nitrogen heterocycles
  作者：Jonathan W. Slater、Jonathan P. Rourke

  DOI：10.1016/j.jorganchem.2003.08.038

  日期：2003.12

  The cyclometallation of four different classes of nitrogen heterocycle (pyridazine, tetrazines, pyrazines and pyrimidines) by palladium and platinum has been studied. Pyridazines readily form singly and doubly cyclometallated compounds, whilst pyrazines only metallate once. Both tetrazines and pyrimidines readily metallate once and doubly metallated species have been identified in solution. The use of trans-cyclometallating reagents based on benzylamine and Schiff's base ligands was also studied: considerable promise was shown by a benzylamine compound. (C) 2003 Elsevier B.V. All rights reserved.