3,3'-bis-hexyl(butylene-1,4)-bisurea

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 3,3'-bis-hexyl(butylene-1,4)-bisurea
• 英文别名: 1-Hexyl-3-[4-(hexylcarbamoylamino)butyl]urea；1-hexyl-3-[4-(hexylcarbamoylamino)butyl]urea
• 化学式: C₁₈H₃₈N₄O₂
• 分子量: 342.525
• InChiKey: ZNHZXMXWVAFQMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  24
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异氰酸己酯 、 四亚甲基二胺 以 氯仿 为溶剂， 反应 0.5h， 以82%的产率得到3,3'-bis-hexyl(butylene-1,4)-bisurea
  参考文献：
  名称：

  Molecular Recognition in a Thermoplastic Elastomer

  摘要：

  Selective incorporation of bisurea guests in thermoplastic elastomers with poly (tetrahydronfuran) soft blocks and bisurea containing hard blocks is observed when the distances between the urea groups of host and guest match. The incorporation leads to significant modulation of mechanical properties. With bisurea-functionalized dyes as guests, a strong difference in extractability by detergent solution was shown between dyes differing by just one methylene unit between urea groups. Upon elongation of elastomer films, strong differences in alignability of matching and nonmatching dyes were observed.

  DOI：

  10.1021/ja0451160

文献信息

• Molecular Recognition in a Thermoplastic Elastomer
  作者：Rolf A. Koevoets、Ron M. Versteegen、Huub Kooijman、Anthony L. Spek、Rint P. Sijbesma、E. W. Meijer

  DOI：10.1021/ja0451160

  日期：2005.3.9

  Selective incorporation of bisurea guests in thermoplastic elastomers with poly (tetrahydronfuran) soft blocks and bisurea containing hard blocks is observed when the distances between the urea groups of host and guest match. The incorporation leads to significant modulation of mechanical properties. With bisurea-functionalized dyes as guests, a strong difference in extractability by detergent solution was shown between dyes differing by just one methylene unit between urea groups. Upon elongation of elastomer films, strong differences in alignability of matching and nonmatching dyes were observed.