1-[(2-methylsulfanylphenyl)hydrazinylidene]naphthalen-2-one | 95262-77-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(2-methylsulfanylphenyl)hydrazinylidene]naphthalen-2-one
• 英文别名: 1-(2-methylsulfanyl-phenylazo)-[2]naphthol；1-(2-Methylmercapto-phenylazo)-[2]naphthol
• CAS: 95262-77-4
• 化学式: C₁₇H₁₄N₂OS
• 分子量: 294.377
• InChiKey: BKEHJBXNXXCETC-VHEBQXMUSA-N

物化性质

• 熔点：
  163-164 °C
• 沸点：
  497.8±30.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.95
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  在 sodium sulfide 、 sodium hydroxide 、 乙醇 、 水 作用下， 生成 1-[(2-methylsulfanylphenyl)hydrazinylidene]naphthalen-2-one
  参考文献：
  名称：

  Burawoy; Turner, Journal of the Chemical Society, 1950, p. 476

  摘要：

  DOI：

文献信息

• Binding of bi- and tri-valent nickel by azophenolates incorporating thioether/ether donor sites
  作者：Suranjan Bhanja Choudhury、Debashis Ray、Animesh Chakravorty

  DOI：10.1039/dt9920000107

  日期：——

  Nickel(II) complexes of tri- and hexa-dentate ligands in which the donors are azo nitrogen, phenolic oxygen and thioether sulfur or ether oxygen have been isolated. Structure determination of three complexes has established the presence of distorted octahedral NiN2O2X2 (X = S or O) co-ordination spheres. In dichloromethane solution the nickel(III)-nickel(II) couple is electrochemically observable for the thioether complexes with E1/2 in the range 0.65-0.85 V vs. saturated calomel electrode. The blue-violet nickel(III) species can be quantitatively electrogenerated in solution. Upon freezing (77 K) axial EPR spectra (g parallel-to almost-equal-to 2.18, g perpendicular-to almost-equal-to 2.06) compatible with the uncommon hole configuration (d(x2-y2))1 are observed. The ether complexes are more difficult to oxidise and the nickel(III) species are not tractable. This is consistent with the higher strength of nickel-thioether compared to -ether binding.