1-[6-(4-hydroxybutyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-3-(3-hydroxypropyl)urea | 628718-64-9

• 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-(4-hydroxybutyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-3-(3-hydroxypropyl)urea
• 英文别名: 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea
• CAS: 628718-64-9
• 化学式: C₁₂H₂₀N₄O₄
• 分子量: 284.315
• InChiKey: IPLZAXYBBUZEDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  123
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氧代-6-庚烯酸乙基 在 palladium on activated charcoal 吡啶 、 氢气 、 potassium carbonate 、 9-硼双环[3.3.1]壬烷 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 58.0h， 生成 1-[6-(4-hydroxybutyl)-4-oxo-1,4-dihydropyrimidin-2-yl]-3-(3-hydroxypropyl)urea
  参考文献：
  名称：

  Modular Domain Structure:  A Biomimetic Strategy for Advanced Polymeric Materials

  摘要：

  A long lasting challenge in polymer science is to design polymers that combine desired mechanical properties such as tensile strength, fracture toughness, and elasticity into one structure. A novel biomimetic modular polymer design is reported here to address this challenge. Following the molecular mechanism used in nature, modular polymers containing multiple loops were constructed by using precise and strong hydrogen bonding units. Single-molecule force-extension experiments revealed the sequential unfolding of loops as a chain is stretched. The excellent correlation between the single-molecule and the bulk properties successfully demonstrates our biomimetic concept of using modular domain structure to achieve advanced polymer properties.

  DOI：

  10.1021/ja039127p

文献信息

• Modular Domain Structure:  A Biomimetic Strategy for Advanced Polymeric Materials
  作者：Zhibin Guan、Jason T. Roland、Jane Z. Bai、Sharon X. Ma、Theresa M. McIntire、Maianh Nguyen

  DOI：10.1021/ja039127p

  日期：2004.2.1

  A long lasting challenge in polymer science is to design polymers that combine desired mechanical properties such as tensile strength, fracture toughness, and elasticity into one structure. A novel biomimetic modular polymer design is reported here to address this challenge. Following the molecular mechanism used in nature, modular polymers containing multiple loops were constructed by using precise and strong hydrogen bonding units. Single-molecule force-extension experiments revealed the sequential unfolding of loops as a chain is stretched. The excellent correlation between the single-molecule and the bulk properties successfully demonstrates our biomimetic concept of using modular domain structure to achieve advanced polymer properties.