2,6-diphenylbenzo[1,2-d:4,5-d']bisthiazoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2,6-diphenylbenzo[1,2-d:4,5-d']bisthiazoline
• 英文别名: (2R,6R)-2,6-diphenyl-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazole
• 化学式: C₂₀H₁₆N₂S₂
• 分子量: 348.492
• InChiKey: SZMJCDRFDMHURY-WOJBJXKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  74.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-diphenylbenzo[1,2-d:4,5-d']bisthiazoline 在 氧气 作用下， 以 氘代氯仿 为溶剂， 反应 60.0h， 生成 2,6-Diphenyl-benzo<1,2-d:4,5-d'>bis-thiazol
  参考文献：
  名称：

  Kawamoto, Tatsuya; Konno, Takumi, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 379, p. 443 - 448

  摘要：

  DOI：

文献信息

• Square-Planar N₂S₂Ni^II Complexes with an Extended π-Conjugated System
  作者：Tatsuya Kawamoto、Kazunori Takeda、Masato Nishiwaki、Takashi Aridomi、Takumi Konno

  DOI：10.1021/ic0618246

  日期：2007.5.1

  The reaction of a mixture of 2-(1-naphthyl)benzothiazoline (HL1) and 2,6-diphenylbenzo[1,2-d:4,5-d']bisthiazoline (H3L2) with nickel(II) acetate tetrahydrate yielded three kinds of square-planar nickel(II) complexes: one nickel(II) complex with innocent ligands ([Ni(L-1)(2)] (1c)) and two nickel(II) complexes with non-innocent ligands ([Ni(L-1-L-1)] (1a) and [Ni(L-1-L-2)] (1b)). The complex 1c has two bidentate-N,S ligands, which are formed via ring opening of HL1. On the other hand, the two complexes 1a and 1b contain a tetradentate-N2S2 ligand, which is created via ring opening of HL1 and H3L2, followed by bond formation between imino carbon atoms. Complexes 1a and 1b show very intense absorptions in the near-infrared (NIR) region, characteristic of square-planar complexes with non-innocent ligands. The third nickel(II) complex having a non-innocent tetradentate-N2S2 ligand ([Ni(L-2-L-2)] (2)) was prepared from H3L2 and nickel(II) acetate tetrahydrate. The electronic spectrum of 2 exhibits a very intense absorption at 981 nm (epsilon = 3.6 x 10(4) M-1 cm(-1)), which is significantly red-shifted compared with those of 1a (837 nm and 4.4 x 10(4) M-1 cm(-1)) and 1b (885 nm and 4.5 x 10(4) M-1 cm(-1)), indicating the presence of an extended pi delocalization. The reaction of 2,6-bis(3,5-dichlorophenyl)benzo[1,2-d:4,5-d']bisthiazoline (H3L3) with nickel(II) acetate tetrahydrate also led to the formation of a nickel(II) complex with a non-innocent ligand ([Ni(L-3-L-3)] (3)). While complex 3 is analogous to 2, its electrical conductivity is much higher than that of 2. The molecular structures of 1b, 1c, 2, and 3 were determined by X-ray crystallography.
• Kawamoto, Tatsuya; Konno, Takumi, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 379, p. 443 - 448
  作者：Kawamoto, Tatsuya、Konno, Takumi

  DOI：——

  日期：——