(3Z)-1,1-diethyl-3-[phenyl-[2-(pyrrolidine-1-carbothioyl)hydrazinyl]methylidene]thiourea | 1189567-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3Z)-1,1-diethyl-3-[phenyl-[2-(pyrrolidine-1-carbothioyl)hydrazinyl]methylidene]thiourea
• CAS: 1189567-50-7
• 化学式: C₁₇H₂₅N₅S₂
• 分子量: 363.551
• InChiKey: PLSFKDICARTSLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tri-n-butylammonium monophosphate 、 (3Z)-1,1-diethyl-3-[phenyl-[2-(pyrrolidine-1-carbothioyl)hydrazinyl]methylidene]thiourea 以 甲醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Synthesis, Structural Characterization, and Biological Evaluation of Oxorhenium(V) Complexes with a Novel Type of Thiosemicarbazones Derived from N-[N′,N′-Dialkylamino(thiocarbonyl)]benzimidoyl Chlorides

  摘要：

  Reactions of N-[N',N'-diethylamino(thiocarbonyl)]benzimidoyl chloride with 4,4-dialkylthiosemicarbazides give a novel class of thiosemicarbazides/thiosemicarbazones, H2L, which causes a remarkable reduction of cell growth in in vitro experiments. These strong antiproliferative effects are also observed for oxorhenium(V) complexes of the general composition [ReOCl(L)], which are formed by reactions of the potentially tridentate ligands with (NBu4)[ReOCl4]. A systematic substitution of the alkyl groups in the thiosemicarbazone building blocks of the ligands do not significantly influence the biological activity of the metal complexes, while the replacement of the chloro ligand by a PPh3 ligand (by the replacement of the oxo unit by a nitrido ligand) completely terminated the cytotoxicity of the metal complexes.

  DOI：

  10.1021/ic901160v

文献信息

• Neutral Gold Complexes with Tridentate <i>SNS</i> Thiosemicarbazide Ligands
  作者：Pedro I. da S. Maia、Hung Huy Nguyen、Daniela Ponader、Adelheid Hagenbach、Silke Bergemann、Ronald Gust、Victor M. Deflon、Ulrich Abram

  DOI：10.1021/ic201905t

  日期：2012.2.6

  thiatriazine L2 by Au3+, followed by a desulfurization reaction with ring contraction. The chloro ligands in the [AuCl(L1)] complexes can readily be replaced by other monoanionic ligands such as SCN– or CN– giving [Au(SCN)(L1)] or [Au(CN)(L1)] complexes. The complexes described in this paper represent the first examples of fully characterized neutral Gold(III) thiosemicarbazone complexes. All the [AuCl(L1)]

  的Na [AUCL 4 ]·2H 2 ö发生反应具有三齿配体的氨基硫脲，H 2 L1，衍生自ñ - [ Ñ '，Ñ ' -二烷基氨基（硫代羰基）]亚氨苄基氯和氨基硫脲在形成空气稳定的，绿[AUCL（ L1）]复合物。有机配体以平面SNS配位模式配位。少量副产物[AuCl（L3）]的金（I）络合物形成副产物，其中L3是与S键合的5-二乙基氨基-3-苯基-1-硫代氨基甲酰基-1,2,4-三唑。三唑L3的形成可以通过H的氧化来解释2 L1通过的Au中间thiatriazine L2 3+，然后进行带有环收缩的脱硫反应。[AuCl（L1）]络合物中的氯配体可以很容易地被其他单阴离子配体（例如SCN –或CN –）取代，得到[Au（SCN）（L1）]或[Au（CN）（L1）]络合物。本文描述的配合物代表了完全表征的中性金（III）硫代半碳酸钠配合物的第一个实例。所有的[AuCl（L1）]化合物均对人