2-[(2-Benzylsulfanylphenyl)iminomethyl]phenolate;cobalt(3+);nitrate | 1428183-32-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[(2-Benzylsulfanylphenyl)iminomethyl]phenolate;cobalt(3+);nitrate
• 英文别名: 2-[(2-benzylsulfanylphenyl)iminomethyl]phenolate;cobalt(3+);nitrate
• CAS: 1428183-32-7
• 化学式: C₄₀H₃₂CoN₂O₂S₂*NO₃
• 分子量: 757.836
• InChiKey: SXGODDPBOSASLT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.36
• 重原子数：
  51
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  184
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 2-((2-(benzylthio)phenylimino)methyl)phenol 以 甲醇 为溶剂， 反应 4.0h， 以60%的产率得到2-[(2-Benzylsulfanylphenyl)iminomethyl]phenolate;cobalt(3+);nitrate
  参考文献：
  名称：

  Synthesis, characterization, structure, redox property, antibacterial and catalytic activity of tridentate Schiff base cobalt(III), nickel(II) and palladium(II) complexes

  摘要：

  Ligand, HL, 2-((2-(benzylthio)phenylimino)methyl)phenol, upon reaction with Co(NO3)(3 center dot)6H(2)O, Ni(OAc)(2)-4H(2)O and PdCl2 separately afforded complexes [(L)(2)Co]NO3 (1), [(L)(2)Ni] (2) and [(L)PdCl] (3) respectively. The new complexes were characterized by usual spectroscopic studies like UVVis, IR and NMR and authenticated by X-ray structure determination on [(L)(2)Co]NO3, [(L)(2)Ni]. The analysis of crystal structures revealed that in all the complexes the ligand HL binds the metal center as uni-negative anion; L- dissociating phenolic proton and offers (O, N, S) tridentate binding mode to the metal. The compound [Co(L)(2)]-NO3 is tested for in vitro antibacterial activity. Complex 3, acts as a catalyst in Heck reaction for a number of substrates. Complexes 1 and 2 exhibited a quasi reversible oxidative responses at 0.97 and 0.85 V, respectively, versus SCE. The electronic spectra and redox properties of the complexes have been explained with DFT computation. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.01.010

文献信息

• Synthesis, characterization, structure, redox property, antibacterial and catalytic activity of tridentate Schiff base cobalt(III), nickel(II) and palladium(II) complexes
  作者：Poulami Pattanayak、Jahar Lal Pratihar、Debprasad Patra、Chia-Her Lin、Sobhana Paul、Kausiki Chakraborty

  DOI：10.1016/j.poly.2013.01.010

  日期：2013.3

  Ligand, HL, 2-((2-(benzylthio)phenylimino)methyl)phenol, upon reaction with Co(NO3)(3 center dot)6H(2)O, Ni(OAc)(2)-4H(2)O and PdCl2 separately afforded complexes [(L)(2)Co]NO3 (1), [(L)(2)Ni] (2) and [(L)PdCl] (3) respectively. The new complexes were characterized by usual spectroscopic studies like UVVis, IR and NMR and authenticated by X-ray structure determination on [(L)(2)Co]NO3, [(L)(2)Ni]. The analysis of crystal structures revealed that in all the complexes the ligand HL binds the metal center as uni-negative anion; L- dissociating phenolic proton and offers (O, N, S) tridentate binding mode to the metal. The compound [Co(L)(2)]-NO3 is tested for in vitro antibacterial activity. Complex 3, acts as a catalyst in Heck reaction for a number of substrates. Complexes 1 and 2 exhibited a quasi reversible oxidative responses at 0.97 and 0.85 V, respectively, versus SCE. The electronic spectra and redox properties of the complexes have been explained with DFT computation. (C) 2013 Elsevier Ltd. All rights reserved.