Hydrazinecarbothioamide,2-[1-(2-hydroxyphenyl)ethylidene]-N-methyl-N-phenyl- | 497918-69-1

• 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: Hydrazinecarbothioamide,2-[1-(2-hydroxyphenyl)ethylidene]-N-methyl-N-phenyl-
• 英文别名: 2-hydroxyacetophenone N(4)-methyl,phenyl thiosemicarbazone；2-hydroxyacetophenone 3-methyl-3-phenyl thiosemicarbazone
• CAS: 497918-69-1
• 化学式: C₁₆H₁₇N₃OS
• 分子量: 299.396
• InChiKey: AMPFABXDOGBTIC-UHFFFAOYSA-N

物化性质

• 沸点：
  435.9±47.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.86
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Hydrazinecarbothioamide,2-[1-(2-hydroxyphenyl)ethylidene]-N-methyl-N-phenyl- 、 manganese (II) acetate tetrahydrate 在 air 作用下， 以 甲醇 、 乙醇 为溶剂， 以76%的产率得到[manganese(IV)(2-hydroxyacetophenone N(4)-methyl,phenyl thiosemicarbazone(-2H))2]
  参考文献：
  名称：

  Chelating behavior of 2-hydroxyacetophenone N(4)-disubstituted thiosemicarbazones: Facile formation of Mn(IV) complexes – X-ray structure, EPR and cyclic voltammetric studies

  摘要：

  Reaction of tridentate ONS donor ligands H2L1, H2L2 and H2L (3) (H2L1 = 2-hydroxyacetophenone hexamethylencimine-3-thiosemicarbazone; H2L2 = 2-hydroxyacetophenone morpholine-3-thiosemicarbazone; H2L3 = 2-hydroxyacetophenone N(4)-methyl, phenyl thiosemicarbazone) with Mn(OAC)(2) center dot 4H(2)O afforded manganese(IV) complexes of the type [MnL2] in an ethanol-methanol mixture under air. The crystal structure of Mn(L-2)(2) center dot 0.25H(2)O reveals an octahedral geometry with the ligand coordinated in a meridional fashion. The molecule is packed in the crystal lattice with extended hydrogen bonding networks. EPR spectra of the complexes in frozen solution at 77 K show a weak signal at g approximate to 4 and a strong sextet at g 2 consistent with manganese(IV) in an octahedral environment. Cyclic voltammetry in DMSO/ dichloromethane show quasi-reversible peaks corresponding to the Mn(IV)/ Mn(III) redox couple. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.01.004

文献信息

• New copper(II) complexes of 2-hydroxyacetophenone N(4)-substituted thiosemicarbazones and polypyridyl co-ligands: structural, electrochemical and antimicrobial studies
  作者：Rohith P. John、A. Sreekanth、V. Rajakannan、T.A. Ajith、M.R. Prathapachandra Kurup

  DOI：10.1016/j.poly.2004.09.004

  日期：2004.10

  Abstract Seven new copper(II) complexes of 2-hydroxyacetophenone N(4)-substituted thiosemicarbazones (H2L) and bidentate polypyridyl compounds 2,2′-bipyridine and 1,10-phenanthroline (B) were prepared and characterized. The thiosemicarbazones bind to the metal as dianionic ONS donors (L2−) and yield compounds of the stochiometry [MLB]. The structure of the compound [Cu(L4)(2,2′-bipy)] (6) was investigated

  摘要制备并表征了七个新的2-羟基苯乙酮N（4）-取代的硫代氨基甲唑酮（H2L）和二齿多吡啶基化合物2,2'-联吡啶和1,10-菲咯啉（B）的铜（II）配合物。硫代半咔唑酮作为阴离子ONS供体（L2-）与金属结合，并产生化学计量比的化合物[MLB]。通过单晶X射线衍射法研究了化合物[Cu（L4）（2,2'-bipy）]（6）的结构。自旋哈密顿量和从EPR光谱计算得出的化合物的键合参数表明该化合物具有方形金字塔（SPY）结构。g值预测具有B1g基态的C4v对称性的几何形状。键合参数显示出显着的平面内π键合。配合物的循环伏安法研究表明，对应于Cu（II / I）对的不可逆氧化还原峰和对应于铜（II / III）氧化的准可逆氧化还原峰。硫半脲及其铜配合物对大肠杆菌，金黄色葡萄球菌，真菌白色念珠菌和黄曲霉具有显着的生长抑制活性。
• Synthesis and structural studies of novel Co(III) ternary complexes containing N(4)-substituted thiosemicarbazones of 2-hydroxyacetophenone and heterocyclic bases
  作者：Rohith P John、A Sreekanth、Maliyeckal R Prathapachandra Kurup、Shaikh M Mobin

  DOI：10.1016/s0277-5387(02)01227-5

  日期：2002.11

  eight neutral ternary Co(III) complexes of 2-hydroxyacetophenone N(4)-substituted thiosemicarbazones (H2L), bidentate heterocyclic bases 2,2′-bipyridine (bipy)/1,10-phenanthroline (phen) and azide with a general formula [MLB(N3)] were prepared. The complexes were characterized by means of spectroscopic methods. The coordination geometry around Co(III) in all the complexes is distorted octahedral with

  摘要一个有趣的系列，由八种2-羟基苯乙酮N（4）-取代的硫代氨基甲唑酮（H2L），二齿杂环碱基2,2'-联吡啶（bipy）/ 1,10-菲咯啉（phen）和制备了具有通式[MLB（N3）]的叠氮化物。配合物通过光谱法表征。在所有配合物中，Co（III）周围的配位几何结构是扭曲的八面体，带有一个二元三齿配体L2-，一个双齿杂环基和一个末端配位的叠氮化物基团。化合物CoL4bipyN3的晶体结构被完全解析。所有电子转换都已分配。所有复合物都是抗磁性的，表明在d6强磁场中存在钴。