(3-{3-Benzyloxy-5-[3-(3,5-bis-benzyloxy-benzyloxy)-5-bromomethyl-phenoxymethyl]-phenoxymethyl}-phenyl)-phenyl-pyren-1-yl-amine | 903561-96-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: (3-{3-Benzyloxy-5-[3-(3,5-bis-benzyloxy-benzyloxy)-5-bromomethyl-phenoxymethyl]-phenoxymethyl}-phenyl)-phenyl-pyren-1-yl-amine
• CAS: 903561-96-6
• 化学式: C₇₁H₅₆BrNO₆
• 分子量: 1099.13
• InChiKey: PHNDAYMVYZCVDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.42
• 重原子数：
  79.0
• 可旋转键数：
  22.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  58.62
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (3-{3-Benzyloxy-5-[3-(3,5-bis-benzyloxy-benzyloxy)-5-bromomethyl-phenoxymethyl]-phenoxymethyl}-phenyl)-phenyl-pyren-1-yl-amine 、 4,7-bis(5-(3-hydroxyphenyl)thiophen-2-yl)benzo[c][1,2,5]thiadiazole 在 18-冠醚-6 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以71%的产率得到N-[3-[[3-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[[3-[5-[4-[5-[3-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[[3-phenylmethoxy-5-[[3-(N-pyren-1-ylanilino)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]thiophen-2-yl]-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]phenoxy]methyl]phenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]phenyl]-N-phenylpyren-1-amine
  参考文献：
  名称：

  Dendrimer Analogues of Linear Molecules to Evaluate Energy and Charge-Transfer Properties

  摘要：

  We have designed and synthesized difunctionalized dendrimers containing two donors in the periphery and an acceptor at the core to serve as scaffolds for comparison with linear analogues to investigate the advantage of dendritic scaffolds for energy and charge transfer. Comparison of these dendrimers with the fully decorated dendrimers provides information on the advantage of chromophore density in energy/charge transfer from periphery to the core.

  DOI：

  10.1021/ol0608956
• 作为产物：
  描述：

  methanesulfonyl 3,5-dibenzyloxybenzyl alcohol 在 4-二甲氨基吡啶 、 18-冠醚-6 、 potassium carbonate 、 三乙胺 、 lithium bromide 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 生成 (3-{3-Benzyloxy-5-[3-(3,5-bis-benzyloxy-benzyloxy)-5-bromomethyl-phenoxymethyl]-phenoxymethyl}-phenyl)-phenyl-pyren-1-yl-amine
  参考文献：
  名称：

  Dendrimer Analogues of Linear Molecules to Evaluate Energy and Charge-Transfer Properties

  摘要：

  We have designed and synthesized difunctionalized dendrimers containing two donors in the periphery and an acceptor at the core to serve as scaffolds for comparison with linear analogues to investigate the advantage of dendritic scaffolds for energy and charge transfer. Comparison of these dendrimers with the fully decorated dendrimers provides information on the advantage of chromophore density in energy/charge transfer from periphery to the core.

  DOI：

  10.1021/ol0608956