2-[4-[3,5-Bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,4,6-tris(4-methylphenyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole | 914076-81-6

• 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-[3,5-Bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,4,6-tris(4-methylphenyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• 英文别名: 2-[4-[3,5-bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,4,6-tris(4-methylphenyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• CAS: 914076-81-6
• 化学式: C₅₄H₄₅N₃O₃
• 分子量: 783.97
• InChiKey: DFMSDUPONPISJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  60
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[4-[3,5-Bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,4,6-tris(4-methylphenyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole 、 mercuric triflate 以 氘代氯仿 、 氘代甲醇 为溶剂， 生成
  参考文献：
  名称：

  Electrostatically Controlled Hierarchical Arrangement of Monocationic Silver(I) and Dicationic Mercury(II) Ions between Disk-Shaped Template Ligands

  摘要：

  This paper describes hierarchical arrangement of three Ag+ and three Hg2+ ions using two disk-shaped hexa-monodentate template ligands in which three oxazolyl rings are arranged each on the two concentric circles. The hierarchical manner of ligand arrangement allows the selective binding of monocationic Ag+ and dicationic Hg2+ ions to the inner first and the outer second generation coordination sites, respectively. This hierarchically well-balanced metal assembly should arise primarily from a minimized electrostatic repulsion between positively charged six metal ions arranged within the heteronuclear complex.

  DOI：

  10.1021/ja064194f
• 作为产物：
  描述：

  4-溴苯甲酸乙酯 在 bis-triphenylphosphine-palladium(II) chloride 、 dicobalt octacarbonyl 4-二甲氨基吡啶 、 sodium hydroxide 、 copper(l) iodide 、 sodium methylate 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 99.0h， 生成 2-[4-[3,5-Bis[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2,4,6-tris(4-methylphenyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
  参考文献：
  名称：

  Electrostatically Controlled Hierarchical Arrangement of Monocationic Silver(I) and Dicationic Mercury(II) Ions between Disk-Shaped Template Ligands

  摘要：

  This paper describes hierarchical arrangement of three Ag+ and three Hg2+ ions using two disk-shaped hexa-monodentate template ligands in which three oxazolyl rings are arranged each on the two concentric circles. The hierarchical manner of ligand arrangement allows the selective binding of monocationic Ag+ and dicationic Hg2+ ions to the inner first and the outer second generation coordination sites, respectively. This hierarchically well-balanced metal assembly should arise primarily from a minimized electrostatic repulsion between positively charged six metal ions arranged within the heteronuclear complex.

  DOI：

  10.1021/ja064194f

文献信息

• Electrostatically Controlled Hierarchical Arrangement of Monocationic Silver(I) and Dicationic Mercury(II) Ions between Disk-Shaped Template Ligands
  作者：Shuichi Hiraoka、Takaaki Tanaka、Mitsuhiko Shionoya

  DOI：10.1021/ja064194f

  日期：2006.10.1

  This paper describes hierarchical arrangement of three Ag+ and three Hg2+ ions using two disk-shaped hexa-monodentate template ligands in which three oxazolyl rings are arranged each on the two concentric circles. The hierarchical manner of ligand arrangement allows the selective binding of monocationic Ag+ and dicationic Hg2+ ions to the inner first and the outer second generation coordination sites, respectively. This hierarchically well-balanced metal assembly should arise primarily from a minimized electrostatic repulsion between positively charged six metal ions arranged within the heteronuclear complex.