2-[2,3,4,5,6-五(1,3-噻唑-2-基)苯基]-1,3-噻唑 | 666825-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[2,3,4,5,6-五(1,3-噻唑-2-基)苯基]-1,3-噻唑
• 英文名称: hexa(2-thiazolyl)benzene
• 英文别名: C6(thiazolyl)6；Hexakis(2-thiazolyl)benzene；2-[2,3,4,5,6-pentakis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
• CAS: 666825-28-1
• 化学式: C₂₄H₁₂N₆S₆
• 分子量: 576.795
• InChiKey: ADCJNRCFVHCAMX-UHFFFAOYSA-N

物化性质

• 熔点：
  430 °C (decomp)
• 沸点：
  880.7±75.0 °C(Predicted)
• 密度：
  1.528±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  247
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  C6(oxazolinyl)3(phenyl)3 、 silver trifluoromethanesulfonate 、 2-[2,3,4,5,6-五(1,3-噻唑-2-基)苯基]-1,3-噻唑 以 氘代甲醇 为溶剂， 生成 [Ag3(C6(thiazolyl)6)(C6(oxazolinyl)3(phenyl)3)](OTf)3
  参考文献：
  名称：

  Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter

  摘要：

  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.

  DOI：

  10.1021/ja8014583
• 作为产物：
  描述：

  1,2-双(2-噻唑基)乙炔 在 dicobalt octacarbonyl 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.0h， 以56%的产率得到2-[2,3,4,5,6-五(1,3-噻唑-2-基)苯基]-1,3-噻唑
  参考文献：
  名称：

  Heterotopic Assemblage of Two Different Disk-Shaped Ligands through Trinuclear Silver(I) Complexation:  Ligand Exchange-Driven Molecular Motion

  摘要：

  The sandwich-shaped heterotopic trinuclear Ag+ complex Ag(3)1.2 was exclusively formed from two different tris(thiazolyl) and hexa(thiazolyl) disk-shaped ligands, 1 and 2, with the aid of three Ag+ ions. The variable-temperature H-1 NMR study on its complexation behavior revealed that metal-ligand exchanges between the two neighboring thiazolyl nitrogen donors of 2 take place at the three Ag+ centers in concert. DeltaH(double dagger) and DeltaS(double dagger) for the exchange process were calculated to be 50.5 kJ mol(-1) and -26.7 J mol(-1) K-1, respectively, and its energy barrier at 298 K was estimated to be 58.5 kJ mol(-1). Each concerted metal-ligand exchange leads to an intramolecular 60degrees-rotational motion ((P)reversible arrow(M) conversion) between the two disk-shaped ligands.

  DOI：

  10.1021/ja036388q