1-phenylglyoxal bis(N(3)-diethylthiosemicarbazone) | 215525-48-7

• 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: 1-phenylglyoxal bis(N(3)-diethylthiosemicarbazone)
• 英文别名: 1-phenyl-glyoxal N(4)diethylthiosemicarbazone
• CAS: 215525-48-7
• 化学式: C₁₈H₂₈N₆S₂
• 分子量: 392.593
• InChiKey: OESBWHOLQFNCCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  26.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  55.26
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-phenylglyoxal bis(N(3)-diethylthiosemicarbazone) 、 copper diacetate 在 Et₃N 作用下， 以 乙醇 为溶剂， 生成 copper;N'-[(E)-[(2E)-2-[(Z)-[diethylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
  参考文献：
  名称：

  Spectral and structural studies of metal complexes of 1-phenylglyoxal bis { {N (3) -diethylthiosemicarbazone} }

  摘要：

  Nickel(II), copper(II) and palladium(II) complexes of 1-phenylglyoxal; bis{N(3)-diethylthiosemicarbazone}, H(2)Pg4DE, have been prepared, studied spectroscopically and their crystal structures solved. H(2)Pg4DE and the three complexes have been characterized by IR, electronic, H-1 NMR (Ni, Pd) and ESR (Cu) spectra. Upon formation of these complexes, loss of the N(2)H hydrogens from both thiosemicarbazone moieties occurs, and the ligands coordinate to. the metal centers as dianionic, tetradentate N2S2 ligands. The nickel(II) and copper(II) complexes, [M(Pg4DE)], coordinate in the expected 5-5-5-chelate ring system, but [Pd(Pg4DE)] coordinates with 5-6-4-membered chelate rings. The thiosemicarbazone moiety attached to the phenyl keto carbon in [Pd(Pg4DE)] forms the 4-membered chelate ring coordinating via N(2) rather than the azomethine nitrogen, N(1). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00063-1

文献信息

• Structural Studies of a Copper(II) Complex with Inequivalent 2-Acetylpyridine 3-Piperidylthiosemicarbazonato Ligands and a Nickel(II) Complex with Different Modes of Coordination by the Two Thiosemicarbazonato Moieties of 1-Phenylglyoxal Bis{N(4)-diethylthiosemicarbazone}
  作者：Elena Bermejo、Alfonso Castiñeiras、Lily J. Ackerman、Matthew D. Owens、Douglas X. West

  DOI：10.1002/1521-3749(200108)627:8<1966::aid-zaac1966>3.0.co;2-z

  日期：2001.8