1-(6-(but-3-ynyl)-4-oxo-1,4-dihydropyrimidin-2-yl)-3-butylurea | 917745-88-1

• 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: 1-(6-(but-3-ynyl)-4-oxo-1,4-dihydropyrimidin-2-yl)-3-butylurea
• 英文别名: N-Butyl-N'-[6-(but-3-yn-1-yl)-4-oxo-1,4-dihydropyrimidin-2-yl]urea；1-butyl-3-(4-but-3-ynyl-6-oxo-1H-pyrimidin-2-yl)urea
• CAS: 917745-88-1
• 化学式: C₁₃H₁₈N₄O₂
• 分子量: 262.312
• InChiKey: QGHPNLLQUAXVIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-butyl-3-(4-oxo-6-(4-(triisopropylsilyl)but-3-ynyl)-1,4-dihydropyrimidin-2-yl)urea 在 四丁基氟化铵 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 120.0h， 以72%的产率得到1-(6-(but-3-ynyl)-4-oxo-1,4-dihydropyrimidin-2-yl)-3-butylurea
  参考文献：
  名称：

  Increased Alignment of Electronic Polymers in Liquid Crystals via Hydrogen Bonding Extension

  摘要：

  Crucial for the development of enhanced electrooptic materials is the construction of highly anisotropic materials. Nematic liquid crystals are able to control the chain conformation and alignment of poly(phenylene ethynylene)s (PPEs), producing electronic polymers with chain-extended planar conformations for improved transport properties. Here, we show that the dichroic ratio, and hence polymer alignment, increases dramatically when interpolymer interactions are introduced by end capping the PPE with hydrogen bonding groups. This increased order can be readily turned off by the introduction of a competing monofunctionalized hydrogen bonding compound. The formation of hydrogen bonds between the polymers results in the formation of gels and elastomers which may be of interest for future applications.

  DOI：

  10.1021/ja065662o

文献信息

• Compositions including polymers aligned via interchain interactions
  申请人：Swager Timothy M.

  公开号：US20080102386A1

  公开（公告）日：2008-05-01

  The present invention provides compositions, devices and methods related to the alignment of materials including polymers. In some cases, the present invention comprises the assembly of molecules (e.g., polymers) via intermolecular interactions to produce extended networks, which may have enhanced properties relative to the individual molecules. Such networks may be advantageous for use in electronics, photovoltaics, sensor applications, and the like. In some embodiments, the present invention may enhance the performance of certain optical devices, such as liquid crystal displays (e.g., color liquid crystal displays) by providing enhanced contrast ratio, faster response times, and/or lower operating voltage.
• Increased Alignment of Electronic Polymers in Liquid Crystals via Hydrogen Bonding Extension
  作者：Johan Hoogboom、Timothy M. Swager

  DOI：10.1021/ja065662o

  日期：2006.11.1

  Crucial for the development of enhanced electrooptic materials is the construction of highly anisotropic materials. Nematic liquid crystals are able to control the chain conformation and alignment of poly(phenylene ethynylene)s (PPEs), producing electronic polymers with chain-extended planar conformations for improved transport properties. Here, we show that the dichroic ratio, and hence polymer alignment, increases dramatically when interpolymer interactions are introduced by end capping the PPE with hydrogen bonding groups. This increased order can be readily turned off by the introduction of a competing monofunctionalized hydrogen bonding compound. The formation of hydrogen bonds between the polymers results in the formation of gels and elastomers which may be of interest for future applications.