pyridyl bis(3-(dipropylamino)thiosemicarbazone) | 316790-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridyl bis(3-(dipropylamino)thiosemicarbazone)
• 英文别名: pyridil bis(N(4)-dipropylthiosemicarbazone)；pyridyl bis(N(4)-dipropylthiosemicarbazone)；pyridyl bis(N(4)dipropyl-thiosemicarbazone)
• CAS: 316790-65-5
• 化学式: C₂₆H₃₈N₈S₂
• 分子量: 526.773
• InChiKey: KLYPVILLKVOFPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  36.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  potassium tetrachloroplatinate(II) 、 pyridyl bis(3-(dipropylamino)thiosemicarbazone) 以 乙醇 、 水 为溶剂， 以54.9%的产率得到[(C₅H₄NCNNCS(N(C₃H₇)2))2Pt₂Cl₂]*3H₂O
  参考文献：
  名称：

  Structural and spectral study of platinum(II) complexes of pyridil bis{3-piperidyl-, bis{hexamethyleneiminyl-, bis{N(4)-diethyl- and bis{N(4)-dipropylthiosemicarbazones}

  摘要：

  Representative platinum(II) complexes of pyridil bis(N(4)-substituted thiosemicarbazones), in which the substituents replacing the NH2 of the thiosemicarbazone moieties are piperidyl, H(2)Plpip; hexamethyleneiminyl, H(2)Plhexim; diethylamino, H(2)Pl4DE; and dipropylamino, H(2)Pl4DP, have been synthesized and characterized with IR, electronic, mass, and H-1 NMR spectra. Crystal structures have been solved for two platinum(II) complexes formed from H(2)Pl4DP. [Pt(Pl4DP)] has square-planar N2S2 coordination (i.e, imine nitrogen and thiolato sulfur atoms) and [Pt-2(Pl4DP)Cl-2] has two PtNNSCl centers with the pyridine nitrogen, imine nitrogen and thiolato sulfur atoms coordinated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00646-x

文献信息

• Castineiras, Alfonso; Gil, Maria; Bermejo, Elena, Zeitschrift fur Naturforschung, B: Chemical Sciences, 2000, vol. 55, # 9, p. 863 - 870
  作者：Castineiras, Alfonso、Gil, Maria、Bermejo, Elena、West, Douglas X.

  DOI：——

  日期：——
• 10.1002/1521-3749(200105)627:5<827::aid-zaac827<3.0.co;2-j
  作者：Bermejo, Elena、Castineiras, Alfonso、Gil, Maria、Labisbal, Elena、Sousa, Antonio、Beraldo, Heloisa、West, Douglas X.

  DOI：10.1002/1521-3749(200105)627:5<827::aid-zaac827<3.0.co;2-j

  日期：——
• ——
  作者：Maria Gil、Elena Bermejo、Alfonso Castiñeiras、Heloisa Beraldo、Douglas X. West

  DOI：10.1002/1521-3749(200011)626:11<2353::aid-zaac2353>3.0.co;2-h

  日期：2000.11

  Pyridyl bis(N(4)-substituted thiosemicarbazones), in which the substituents replacing the NH2 group on the thiosemicarbazone moieties are piperidyl, H(2)P1pip; hexamethyleneiminyl, H(2)P1hexim; diethylamino, H(2)P14DE; and dipropylamino, H(2)P14DP, have been synthesized. These bis(thiosemicarbazones) and their nickel(II) complexes have been characterized with IR, electronic, mass, and H-1 and C-13 NMR spectra. Crystal structures have been solved for H(2)P1pip and all four nickel(II) complexes. H(2)P1pip does not possess hydrogen bonding between the thiosemicarbazone moieties, but is in the Z isomeric form with intramolecular hydrogen bonding from both thiosemicarbazone moieties to pyridine nitrogen atoms. The nickel(II) complexes possess square-planar N2S2 (i.e., imine nitrogen and thiolato sulfur atoms) centers and the two pyridine ring nitrogen atoms are not coordinated.