C6(oxazolinyl)3(oxazolinylphenyl)3 | 914076-80-5

• 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: C6(oxazolinyl)3(oxazolinylphenyl)3
• 英文别名: 2-[3,5-Bis(4,5-dihydro-1,3-oxazol-2-yl)-2,4,6-tris[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole；2-[3,5-bis(4,5-dihydro-1,3-oxazol-2-yl)-2,4,6-tris[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• CAS: 914076-80-5
• 化学式: C₄₂H₃₆N₆O₆
• 分子量: 720.784
• InChiKey: VDNNYWBSVNGNPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  C6(oxazolinyl)3(oxazolinylphenyl)3 、 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：

  在 dicobalt octacarbonyl 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以11%的产率得到C6(oxazolinyl)3(oxazolinylphenyl)3
  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

• Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter
  作者：Shuichi Hiraoka、Erika Okuno、Takaaki Tanaka、Motoo Shiro、Mitsuhiko Shionoya

  DOI：10.1021/ja8014583

  日期：2008.7.1

  For a long-range transmission of motion between two movable parts apart from each other, transmitters that can precisely correlate these two motions should be properly incorporated into the system. However, such a motional relay is yet to be realized in artificial systems because of the lack of reliable methodologies for arranging a discrete number of motional parts. Herein, we report a correlated motion of two rotor molecules, which are coaxially arranged at a distance of 1.5 nm, through either Ag+- or Hg2+-assembled helical transmitters, leading to different frequencies of synchronized motion. A helix inversion in the transmitter was proven to strongly correlate the motions of both terminals. The X-ray analysis of the entity determined a quadruple-decker nonanuclear structure of the metal complex comprising two terminal rotor-like ligands closely attached to a central transmitter moiety. H-1 NMR analysis fully demonstrated the synchronized motion of the two rotors coaxially stacked and connected through the transmitter. Since the transmitter is composed of simple helical repeating units, the principle of helix inversion would be an efficient and widely applicable strategy for the long-range transmission of molecular motion.
• 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.