2-[2,4,6-Tris(4-methylphenyl)-3,5-bis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole | 646033-78-5

• 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: 2-[2,4,6-Tris(4-methylphenyl)-3,5-bis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
• 英文别名: 2-[2,4,6-tris(4-methylphenyl)-3,5-bis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
• CAS: 646033-78-5
• 化学式: C₃₆H₂₇N₃S₃
• 分子量: 597.828
• InChiKey: OHYBVZXBHCNADO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2,4,6-Tris(4-methylphenyl)-3,5-bis(1,3-thiazol-2-yl)phenyl]-1,3-thiazole 、 silver trifluoromethanesulfonate 以 氘代氯仿 、 氘代甲醇 为溶剂， 以100%的产率得到Ag₃((CH₃C₆H₄)3(C₃H₂NS)3C₆)2⁽³⁺⁾*3CF₃SO₃^(1-)=Ag₃((CH₃C₆H₄)3(C₃H₂NS)3C₆)2(CF₃SO₃)3
  参考文献：
  名称：

  三明治形三核银（I）配合物的定量形成及其在溶液中P = M翻转运动的动力学性质。

  摘要：

  DOI：

  10.1002/anie.200351068

文献信息

• Heterotopic Assemblage of Two Different Disk-Shaped Ligands through Trinuclear Silver(I) Complexation:  Ligand Exchange-Driven Molecular Motion
  作者：Shuichi Hiraoka、Motoo Shiro、Mitsuhiko Shionoya

  DOI：10.1021/ja036388q

  日期：2004.2.1

  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.
• Quantitative Formation of Sandwich-Shaped Trinuclear Silver(I) Complexes and Dynamic Nature of TheirP?M Flip Motion in Solution
  作者：Shuichi Hiraoka、Koji Harano、Takaaki Tanaka、Motoo Shiro、Mitsuhiko Shionoya

  DOI：10.1002/anie.200351068

  日期：2003.11.3