methyl 3-(2-(phenylcarbamothioyl)hydrazineylidene)butanoate | 475156-24-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 3-(2-(phenylcarbamothioyl)hydrazineylidene)butanoate
• CAS: 475156-24-2
• 化学式: C₁₂H₁₅N₃O₂S
• 分子量: 265.336
• InChiKey: OACQQABMKPTMKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.72
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [tris(triphenylphosphine) ruthenium(III) trichloride] 、 methyl 3-(2-(phenylcarbamothioyl)hydrazineylidene)butanoate 以 苯 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  SYNTHESIS, CHARACTERISATION, CATALYTIC, AND BIOCIDAL STUDIES OF RUTHENIUM(III) COMPLEXES WITH THIOSEMICARBAZONES OF β-DIKETOESTERS

  摘要：

  Ruthenium(III) complexes, [RuX(EPh3)(2)(L)] (X=Cl, Br; E=P, As; L=tridentate Schiff base dianion), have been synthesised by reacting [RuCl3(PPh3)(3)], [RuCl3(AsPh3)(3)] or [RuBr3(AsPh3)(3)] with thiosemicarbazones of methyl- and ethyl acetoacetates. All of the new complexes have been characterised by elemental analyses, IR, electronic, EPR and cyclic voltammetric data and an octahedral structure has been tentatively proposed. The ruthenium(III) complexes were found to be effective catalysts for the oxidation of alcohols to the corresponding carbonyl compounds in the presence of N-methylmorpholine-N-oxide (NMO) as a co-oxidant. The Schiff bases and the new complexes have been tested for the in vitro growth inhibitory activity against the bacteria E. Coli, Bacillus sp. and Pseudomonas sp.

  DOI：

  10.1081/sim-120013023

文献信息

• Synthesis and Characterization of New Trimeric Rhenium(I) Complexes. The Influence of Steric Factors on the Size of Pyrazolonaterhenium(I) Metallomacrocycles
  作者：Paula Barbazán、Rosa Carballo、José S. Casas、Emilia García-Martínez、Gumersindo Pereiras-Gabián、Agustín Sánchez、Ezequiel M. Vázquez-López

  DOI：10.1021/ic061080w

  日期：2006.9.1

  The reaction of [ReX(CO)5] with thiosemicarbazones H2L(R) derived from beta-keto esters (X = Cl, Br; R = Me, Ph) allowed the isolation of cyclic trimeric complexes [Re3(pyz(R))3(CO)9], where pyz(R) is the pyrazolonate corresponding to the thiosemicarbazone. Electron spray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) monitoring of the reactions of H2L(Ph) in

  [ReX（CO）5]与衍生自β-酮酸酯（X = Cl，Br; R = Me，Ph）的硫代半咔唑H2L（R）的反应可分离环状三聚体[Re3（pyz（R）） 3（CO）9]，其中pyz（R）是对应于硫代半脲的吡唑啉酸酯。电子喷雾电离傅里叶变换离子回旋共振质谱（ESI-FTICR-MS）监测甲苯中H2L（Ph）的反应，证实三聚体在反应混合物中形成，未检测到更高的低聚物。这些研究，以及三聚体配合物的X射线结构，为影响吡唑并at（I）配合物自组装的因素提供了新的见解。