4-bromo-3',5'-bis(4-bromophenyl)-4''-(but-3-en-1-yloxy)-4',6'-bis(4-(but-3-en-1-yloxy)phenyl)-1,1':2',1''-terphenyl | 1185727-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromo-3',5'-bis(4-bromophenyl)-4''-(but-3-en-1-yloxy)-4',6'-bis(4-(but-3-en-1-yloxy)phenyl)-1,1':2',1''-terphenyl
• CAS: 1185727-85-8
• 化学式: C₅₄H₄₅Br₃O₃
• 分子量: 981.661
• InChiKey: NPHAOOYJQUELHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.84
• 重原子数：
  60.0
• 可旋转键数：
  18.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-bromo-3',5'-bis(4-bromophenyl)-4''-(but-3-en-1-yloxy)-4',6'-bis(4-(but-3-en-1-yloxy)phenyl)-1,1':2',1''-terphenyl 、 二乙基(3-吡啶基)-硼烷 在 四丁基溴化铵 、 caesium carbonate 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以47%的产率得到3-[4-[2,4,6-Tris(4-but-3-enoxyphenyl)-3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
  参考文献：
  名称：

  Template-Directed Synthesis of a Covalent Organic Capsule Based on a 3 nm-Sized Metallocapsule

  摘要：

  A 4 nm-sized covalent organic capsule having 24 pyridyl groups was synthesized in extremely high yield (43% in three steps) using an octahedron-shaped metallocapsule as a template molecule. The entity was fully characterized by NMR and MALDI-TOF MS measurements. N-Methylation of the 24 pyridyl groups of the organic capsule produced a 5 nm-sized polycationic capsule, which is larger than the neutral precursory capsule because of the electrostatic repulsion between the positive charges on the pyridinium groups of the capsule.

  DOI：

  10.1021/ja903324r
• 作为产物：
  描述：

  3-丁烯-1-醇 、 2',4',6'-tris(4-bromophenyl)-5'-(4-hydroxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-diol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以85.3%的产率得到4-bromo-3',5'-bis(4-bromophenyl)-4''-(but-3-en-1-yloxy)-4',6'-bis(4-(but-3-en-1-yloxy)phenyl)-1,1':2',1''-terphenyl
  参考文献：
  名称：

  Template-Directed Synthesis of a Covalent Organic Capsule Based on a 3 nm-Sized Metallocapsule

  摘要：

  A 4 nm-sized covalent organic capsule having 24 pyridyl groups was synthesized in extremely high yield (43% in three steps) using an octahedron-shaped metallocapsule as a template molecule. The entity was fully characterized by NMR and MALDI-TOF MS measurements. N-Methylation of the 24 pyridyl groups of the organic capsule produced a 5 nm-sized polycationic capsule, which is larger than the neutral precursory capsule because of the electrostatic repulsion between the positive charges on the pyridinium groups of the capsule.

  DOI：

  10.1021/ja903324r