2',4',6'-tris(4-bromophenyl)-5'-(4-hydroxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-diol | 1185727-83-6

• 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: 2',4',6'-tris(4-bromophenyl)-5'-(4-hydroxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-diol
• CAS: 1185727-83-6
• 化学式: C₄₂H₂₇Br₃O₃
• 分子量: 819.387
• InChiKey: NHPHMNOBPHCNLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.09
• 重原子数：
  48.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.69
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  1-溴-4-[2-(4-甲氧基苯基)乙炔基]苯 在 dicobalt octacarbonyl 、 三溴化硼 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 336.0h， 以6.7%的产率得到2',4',6'-tris(4-bromophenyl)-5'-(4-hydroxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-diol
  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