[Pd(2-phenylbenzothiazole)(μ-Br)]2 | 179991-58-3

• 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: [Pd(2-phenylbenzothiazole)(μ-Br)]2
• 英文别名: bromopalladium(1+);2-phenyl-1,3-benzothiazole
• CAS: 179991-58-3
• 化学式: C₂₆H₁₆Br₂N₂Pd₂S₂
• 分子量: 793.206
• InChiKey: GYXDOHYBZMDWTB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  乙硫醚 、 [Pd(2-phenylbenzothiazole)(μ-Br)]2 以 二氯甲烷 为溶剂， 以98.2%的产率得到Pd(2-phenylbenzothiazole)Br(SEt2)
  参考文献：
  名称：

  Synthesis and NMR structural analysis of several orthopalladated complexes of substituted benzo-imidazole, -oxazole and -thiazole and study of two polymorphic crystals

  摘要：

  The full assignation of H-1 and C-13 NMR parameters using both homo- and hetero-nuclear two dimensional spectroscopy techniques (COSY, HMQC and HMBC) allows the determination of electronic properties in cyclopalladated complexes obtained by reaction of N-methyl-2-phenylbenzimidazole (a), 2-phenylbenzothiazole (b) and 2-phenylbenzoxazole (c) with palladium salts.The attempts to separate the anti and syn isomers (detected by NMR) led to the formation of two different kinds of crystal for the 2-phenylbenzoxazole palladium complex, 1c (yellow and orange). The X-ray diffraction study of these crystals indicates the formation of two polymorphic phases both in anti disposition.

  DOI：

  10.1016/0022-328x(96)06218-3
• 作为产物：
  描述：

  lithium bromide 、 bis[(μ-acetato)(2-phenyl-3-ydo)benzothiazolepalladium(II)] 以 水 、 丙酮 为溶剂， 以76.2%的产率得到[Pd(2-phenylbenzothiazole)(μ-Br)]2
  参考文献：
  名称：

  Synthesis and NMR structural analysis of several orthopalladated complexes of substituted benzo-imidazole, -oxazole and -thiazole and study of two polymorphic crystals

  摘要：

  The full assignation of H-1 and C-13 NMR parameters using both homo- and hetero-nuclear two dimensional spectroscopy techniques (COSY, HMQC and HMBC) allows the determination of electronic properties in cyclopalladated complexes obtained by reaction of N-methyl-2-phenylbenzimidazole (a), 2-phenylbenzothiazole (b) and 2-phenylbenzoxazole (c) with palladium salts.The attempts to separate the anti and syn isomers (detected by NMR) led to the formation of two different kinds of crystal for the 2-phenylbenzoxazole palladium complex, 1c (yellow and orange). The X-ray diffraction study of these crystals indicates the formation of two polymorphic phases both in anti disposition.

  DOI：

  10.1016/0022-328x(96)06218-3