(pheboxdm)Co(κ1-OAc)(κ2-OAc) | 1446243-17-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (pheboxdm)Co(κ1-OAc)(κ2-OAc)
• 英文别名: cobalt(3+);2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzene-2-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;diacetate
• CAS: 1446243-17-9
• 化学式: C₂₀H₂₅CoN₂O₆
• 分子量: 448.421
• InChiKey: JUMQTBFYZSOMRK-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (phebox-dm)CoI2(H2O) 、 silver(I) acetate 以 四氢呋喃 为溶剂， 反应 5.0h， 以96%的产率得到(pheboxdm)Co(κ1-OAc)(κ2-OAc)
  参考文献：
  名称：

  NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands

  摘要：

  We describe the preparation and characterization of new NCN-pincer Co(III) complexes containing bis(oxazolinyl)phenyl (phebox) ligands as auxiliary ligands. The reaction of Co-2(CO)(8) with the 2-bromo-substituted ligand precursor (phebox-R)Br (1a, R = Me-2; 1b, R = iPr) resulted in the formation of the tricarbonyl Co(I) complex (phebox-R)Co(CO)(3) (2a, R = Me-2; 2b, R = iPr), in which NC-bidentate coordination of the phebox ligand was observed. Complexes 2 underwent oxidative addition of I-2 to give the Co(III) aqua complex (phebox-R)CoI2(H2O) (4a, R = Me-2; 4b, R = iPr) by a change in the coordination geometry to the NCN-tridentate mode. Ligand exchange reactions of H2O or I ligand with CNtBu or AgOAc smoothly proceeded to give the isocyanide complex (phebox-dm)CoI2(CNtBu) (5) or the acetate complex (phebox-dm)Co(kappa(1)-OAc)(kappa(2)-OAc) (6), respectively.

  DOI：

  10.1021/om400450n