5-methyl-1,3-bis(anilinothiocarbonyl)benzene | 906461-78-7

• 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: 5-methyl-1,3-bis(anilinothiocarbonyl)benzene
• 英文别名: 5-methyl-1-N,3-N-diphenylbenzene-1,3-dicarbothioamide
• CAS: 906461-78-7
• 化学式: C₂₁H₁₈N₂S₂
• 分子量: 362.519
• InChiKey: HPYONYLTDVGQJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium tetrachloroplatinate(II) 、 5-methyl-1,3-bis(anilinothiocarbonyl)benzene 以 溶剂黄146 为溶剂， 以63%的产率得到[5-methyl-1,3-bis(anilinothiocarbonyl)phenyl-C(2),S,S']chloroplatinum(II)
  参考文献：
  名称：

  Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene

  摘要：

  Starting from 5-methyl-1,3-bis(anilinothiocarbonyl)benzene (1), two types of luminescent pincer platinum complexes with kappa S-3, C, S and kappa N-3, C, N coordination modes were obtained. Reaction of 1 with K2PtCl4 afforded a pincer Pt(II) complex (3) with the kappa S-3, C, S coordination mode, whereas oxidative cyclization of 1 yielded 5-methyl-1,3-bis(benzothiazol-2-yl)benzene (2), which provided a pincer Pt(II) complex (4) with the kappa N-3, C, N coordination mode. Molecular structures and photochemical properties of the complexes have been examined. The decay lifetimes of the emission from the complexes were in the range 10(-5)- 10(-6) s, which were indicative of phosphorescent emission.

  DOI：

  10.1021/om060016j

文献信息

• Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene
  作者：Ken Okamoto、Takaki Kanbara、Takakazu Yamamoto、Akihide Wada

  DOI：10.1021/om060016j

  日期：2006.7.1

  Starting from 5-methyl-1,3-bis(anilinothiocarbonyl)benzene (1), two types of luminescent pincer platinum complexes with kappa S-3, C, S and kappa N-3, C, N coordination modes were obtained. Reaction of 1 with K2PtCl4 afforded a pincer Pt(II) complex (3) with the kappa S-3, C, S coordination mode, whereas oxidative cyclization of 1 yielded 5-methyl-1,3-bis(benzothiazol-2-yl)benzene (2), which provided a pincer Pt(II) complex (4) with the kappa N-3, C, N coordination mode. Molecular structures and photochemical properties of the complexes have been examined. The decay lifetimes of the emission from the complexes were in the range 10(-5)- 10(-6) s, which were indicative of phosphorescent emission.