5,5'-(9,10-anthracenyl)-2,2'-diaminobipyrimidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5,5'-(9,10-anthracenyl)-2,2'-diaminobipyrimidine
• 英文别名: 5-[10-(2-Aminopyrimidin-5-yl)anthracen-9-yl]pyrimidin-2-amine
• 化学式: C₂₂H₁₆N₆
• 分子量: 364.409
• InChiKey: AVPOIKRDIRPSPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  9,10-二溴蒽 在 四(三苯基膦)钯 甲基肼 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 22.0h， 生成 5,5'-(9,10-anthracenyl)-2,2'-diaminobipyrimidine
  参考文献：
  名称：

  Self-assembly of 1- and 2-Dimensional Multicompartmental Arrays via the 2-Aminopyrimidine H-Bonding Motif and Selective Guest Inclusion

  摘要：

  The H-bond mediated self-assembly of aminopyrimidine substituted anthracene derivatives 4 and 5, respectively, generate 1- and 2-dimensional multicompartmental arrays in the solid state as revealed by X-ray crystallographic analysis. The derived 'pigeon-hole' lattice is defined by syn-coplanar positioning of anthracene moieties at a distance of ca. 7 Angstrom, allowing the formation of selective clathrate-type inclusion entities with guests of appropriate shape and size, in particular phenazine, which presents both structural and interactional complementarity. These data provide insight into the interplay of the different Structural and interactional features of the molecular components to the controlled generation of electron donor-acceptor (EDA) and charge transfer arrays directed toward the design of functional supramolecular materials. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00489-0