1-(7-aminoheptyl)-3-(2-ethylhexyl)urea | 1179393-59-9

• 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: 1-(7-aminoheptyl)-3-(2-ethylhexyl)urea
• CAS: 1179393-59-9
• 化学式: C₁₆H₃₅N₃O
• 分子量: 285.473
• InChiKey: MRZUSLMRNYDBJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.41
• 重原子数：
  20.0
• 可旋转键数：
  13.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  67.15
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(7-aminoheptyl)-3-(2-ethylhexyl)urea 、 4-(dimethylamino)benzylisocyanate 以 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Self-Sorting of Guests and Hard Blocks in Bisurea-Based Thermoplastic Elastomers

  摘要：

  Self-sorting in thermoplastic elastomers was studied using bisurea-based thermoplastic elastomers (TPEs) which are known to form hard blocks via hierarchical aggregation of bisurea segments into ribbons and of ribbons into fibers. Self-sorting of different bisurea hard blocks in mixtures of polymers to give separate ribbons was established by studying exciplex formation between fluorescent pyrene and dimethylaniline (DMA) functionalized bisurea probes. If both probes had the same spacing between the bisurea units as the matrix hard segments, exciplex bands were observed in the fluorescence emission spectra, whereas exciplex intensities were strongly reduced when DMA and pyrene probes with different spacer lengths were incorporated in a mixed matrix that provided matching host segments for each guest separately. Probes with butylene spaced bisurea groups showed the highest degree of self-sorting. Self-sorting was further improved by annealing of the polymer films leading to a degree of self-sorting of more than 95%. Self-sorting at the fiber level of aggregation was studied by fluorescence resonance energy transfer (FRET) between naphthalene (donor)and pyrene (acceptor) bisurea guests. Large differences in FRET behavior for matching and nonmatching probes showed that significant self-sorting takes places between ribbons to give separate fibers.

  DOI：

  10.1021/ma902585w
• 作为产物：
  描述：

  1-叔丁氧羰基-1,7-二氨基庚烷 在 三氟乙酸 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 6.0h， 生成 1-(7-aminoheptyl)-3-(2-ethylhexyl)urea
  参考文献：
  名称：

  Self-Sorting of Guests and Hard Blocks in Bisurea-Based Thermoplastic Elastomers

  摘要：

  Self-sorting in thermoplastic elastomers was studied using bisurea-based thermoplastic elastomers (TPEs) which are known to form hard blocks via hierarchical aggregation of bisurea segments into ribbons and of ribbons into fibers. Self-sorting of different bisurea hard blocks in mixtures of polymers to give separate ribbons was established by studying exciplex formation between fluorescent pyrene and dimethylaniline (DMA) functionalized bisurea probes. If both probes had the same spacing between the bisurea units as the matrix hard segments, exciplex bands were observed in the fluorescence emission spectra, whereas exciplex intensities were strongly reduced when DMA and pyrene probes with different spacer lengths were incorporated in a mixed matrix that provided matching host segments for each guest separately. Probes with butylene spaced bisurea groups showed the highest degree of self-sorting. Self-sorting was further improved by annealing of the polymer films leading to a degree of self-sorting of more than 95%. Self-sorting at the fiber level of aggregation was studied by fluorescence resonance energy transfer (FRET) between naphthalene (donor)and pyrene (acceptor) bisurea guests. Large differences in FRET behavior for matching and nonmatching probes showed that significant self-sorting takes places between ribbons to give separate fibers.

  DOI：

  10.1021/ma902585w

文献信息

• Molecular recognition in bisurea thermoplastic elastomers studied with pyrene-based fluorescent probes and atomic force microscopy
  作者：Nicole E. Botterhuis、S. Karthikeyan、Dirk Veldman、Stefan C. J. Meskers、Rint P. Sijbesma

  DOI：10.1039/b804457k

  日期：——

  Fluorescence spectroscopy and atomic force microscopy (AFM) measurements using bisurea-pyrene probes show that they are randomly dispersed in the hard blocks of thermoplastic elastomers with matching bisurea groups, whereas they phase separate from polymers with non-matching or no bisurea groups.

  荧光光谱和使用双氨基脲-芘探针的原子力显微镜（AFM）测量表明，这些探针在具有匹配双氨基脲基团的热塑性弹性体的硬块中随机分散，而与不匹配或没有双氨基脲基团的聚合物则相分离。