[Ru(CO)(1-methyl-2-{(o-thiomethyl)phenylazo}imidazole)I₂] | 1608462-22-1

• 英文名称: [Ru(CO)(1-methyl-2-{(o-thiomethyl)phenylazo}imidazole)I₂]
• CAS: 1608462-22-1
• 化学式: C₁₂H₁₂I₂N₄ORuS
• 分子量: 615.198
• InChiKey: ZSYMTYBSKOJOMT-XURWPRCOSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-methyl-2-{(o-thiomethyl)phenylazo}imidazole 、 Ru(CO)₄I₂ 在 十二/十四烷基二甲基氧化胺 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以62%的产率得到[Ru(CO)(1-methyl-2-{(o-thiomethyl)phenylazo}imidazole)I₂]
  参考文献：
  名称：

  Synthesis, electronic structure and catalytic activity of ruthenium-iodo-carbonyl complexes with thioether containing NNS donor ligand

  摘要：

  The ruthenium carbonyl complexes 1 and 2 with redox noninnocent NNS donor ligand, 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole (L) have been synthesized and characterized by various analytical and spectroscopic (IR, UV-Vis and H-1 NMR) techniques. The complexes exhibit a quasi-reversible one electron Ru(II)/Ru(III) oxidation couple at 1.11 V for 1 and 0.76 V for 2 along with two successive one electron ligand reductions. Catalytic activity of the compounds has been investigated to the oxidation of PhCH2OH to PhCHO, 2-butanol (C4H9OH) to 2-butanone, 1-phenylethanol (PhC2H4OH) to acetophenone, cyclopentanol (C5H9OH) to cyclopentanone, cyclohexanol to cyclohexanone, cycloheptanol to cycloheptanone and cycloctanol to cycloctanone using N-methylmorpholine-N-oxide (NMO) as oxidant. The catalytic efficiency of 2 is greater than complex I and well correlate with the metal oxidation potential. DFT, NBO and TDDFT calculations in DFT/B3LYP/6-31G(d)/lanL2TZ(f) method are employed to interpret the structural and electronic features of the complexes. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.02.029
• 作为试剂：
  描述：

  环庚醇 在 [Ru(CO)(1-methyl-2-{(o-thiomethyl)phenylazo}imidazole)I₂] 、 N-甲基吗啉氧化物 作用下， 以 二氯甲烷 为溶剂， 生成 环庚酮
  参考文献：
  名称：

  Synthesis, electronic structure and catalytic activity of ruthenium-iodo-carbonyl complexes with thioether containing NNS donor ligand

  摘要：

  The ruthenium carbonyl complexes 1 and 2 with redox noninnocent NNS donor ligand, 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole (L) have been synthesized and characterized by various analytical and spectroscopic (IR, UV-Vis and H-1 NMR) techniques. The complexes exhibit a quasi-reversible one electron Ru(II)/Ru(III) oxidation couple at 1.11 V for 1 and 0.76 V for 2 along with two successive one electron ligand reductions. Catalytic activity of the compounds has been investigated to the oxidation of PhCH2OH to PhCHO, 2-butanol (C4H9OH) to 2-butanone, 1-phenylethanol (PhC2H4OH) to acetophenone, cyclopentanol (C5H9OH) to cyclopentanone, cyclohexanol to cyclohexanone, cycloheptanol to cycloheptanone and cycloctanol to cycloctanone using N-methylmorpholine-N-oxide (NMO) as oxidant. The catalytic efficiency of 2 is greater than complex I and well correlate with the metal oxidation potential. DFT, NBO and TDDFT calculations in DFT/B3LYP/6-31G(d)/lanL2TZ(f) method are employed to interpret the structural and electronic features of the complexes. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.02.029