2-aminoacetophenone-N4-methylthiosemicarbazone | 215462-68-3

• 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: 2-aminoacetophenone-N4-methylthiosemicarbazone
• 英文别名: 2-aminoacetophenone-N-4-methylthiosemicarbazone
• CAS: 215462-68-3
• 化学式: C₁₀H₁₄N₄S
• 分子量: 222.314
• InChiKey: VQAXYARJAHZAGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.44
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-aminoacetophenone-N4-methylthiosemicarbazone 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  ReVN and TcVN complexes with a novel tetradentate hybrid benzamidine/thiosemicarbazone ligand

  摘要：

  N-(diethylthiocarbamoyl)benzimidoyl chloride reacts with o-aminoacetophenone 4-methylthiosemicarbazone under formation of a novel N2S2 benzamidine/thiosemicarbazone ligand (H2L). The reaction of H2L with [ReNCl2(PPh3)(2)] yields a red complex of the composition [ReN(L)]. The molecular structure of [ReN(L)] reveals a square-pyramidal environment around the Re atom, in which the organic ligand occupies all four positions of the equatorial plane. The reaction of H2L with [TcNCl2(PPh3)(2)] results in a mixture of [TcN(L)] and a side-product of the composition [TcN(PPh3)(Et2NC(S)NH)(L')] (L' = 1,10b-dimethyl-5-phenyl-1,10b-dihydro-[1,2,4]triazolo[1,5-c]quinazoline-2-thiolate). The formation of diethylthiourea and HL' is the result of a metal-driven decomposition of H2L followed by cyclization. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.10.004

文献信息

• Nickel(<scp>ii</scp>) and copper(<scp>ii</scp>) complexes constructed with N₂S₂ hybrid benzamidine–thiosemicarbazone ligand: synthesis, X-ray crystal structure, DFT, kinetico-catalytic and in vitro biological applications
  作者：Paranthaman Vijayan、Periasamy Viswanathamurthi、Krishnaswamy Velmurugan、Raju Nandhakumar、Manickam Dakshinamoorthi Balakumaran、Pudupalayam Thangavelu Kalaichelvan、Jan Grzegorz Malecki

  DOI：10.1039/c5ra18568h

  日期：——

  We report nickel(ii) and copper(ii) complexes containing the benzamidine–thiosemicarbazone ligand together with DFT, enzyme kinetics and in vitro biological applications such as DNA/BSA affinities and anticancer properties.

  我们报告了含苯甲酰胺基-硫脲酮配体的镍（II）和铜（II）配合物，同时结合DFT、酶动力学和体外生物学应用，如DNA/BSA亲和力和抗癌性能。