trans-bis(diphenylglyoximato)(pyridine)benzylcobalt(III) | 63463-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: trans-bis(diphenylglyoximato)(pyridine)benzylcobalt(III)
• 英文别名: PhCH2Co(diphenylglyoximato(-1H))2(pyridine)；PhCH2Co(dpgH)2Py
• CAS: 63463-70-7
• 化学式: C₄₀H₃₄CoN₅O₄
• 分子量: 707.734
• InChiKey: AKQYMGHLVXRQLW-AGMWPDPBSA-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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  bis(dimethylglyoximato)(pyridine)cobalt(I) anion 、 trans-bis(diphenylglyoximato)(pyridine)benzylcobalt(III) 以 甲醇 为溶剂， 生成 trans-bis(dimethylglyoximato)(pyridine)benzylcobalt(III) 、 (benzyl)Co(dimethylglyoximato)(diphenylglyoximato)(pyridine)
  参考文献：
  名称：

  Organocobaloximes with mixed dioxime equatorial ligands: a convenient one-pot synthesis. X-ray crystal structures of BnCoIII(dmgH)(dpgH)Py and BnCOIII(chgH)(dpgH)py

  摘要：

  A simple and general route to the synthesis of organocobaloxime with mixed dioxime ligands, RCo(dmgH)(dpgH)Py and RCo(chgH)(dpgH)Py, has been described. The C-13-NMR chemical shifts have been analysed to see whether one dioxime wing has any effect on the other dioxime wing. The first crystal structure of an organocobaloxime with mixed dioxime ligand in the same complex, BnCo(dmgH)(dpgH)Py and BnCo(chgH)(dpgH)Py, is reported. (C) 2001 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(01)00731-8
• 作为产物：
  描述：

  [Co(diphenylglyoximato)₂Cl(pyridine)] 、 (benzyl)Co(dimethylglyoximato)(diphenylglyoximato)(pyridine) 在 NaOH 、 NaBH₄ 作用下， 以 甲醇 为溶剂， 生成 trans-bis(diphenylglyoximato)(pyridine)benzylcobalt(III)
  参考文献：
  名称：

  Organocobaloximes with mixed dioxime equatorial ligands: a convenient one-pot synthesis. X-ray crystal structures of BnCoIII(dmgH)(dpgH)Py and BnCOIII(chgH)(dpgH)py

  摘要：

  A simple and general route to the synthesis of organocobaloxime with mixed dioxime ligands, RCo(dmgH)(dpgH)Py and RCo(chgH)(dpgH)Py, has been described. The C-13-NMR chemical shifts have been analysed to see whether one dioxime wing has any effect on the other dioxime wing. The first crystal structure of an organocobaloxime with mixed dioxime ligand in the same complex, BnCo(dmgH)(dpgH)Py and BnCo(chgH)(dpgH)Py, is reported. (C) 2001 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(01)00731-8

文献信息

• Synthesis and characterization of diphenylglyoximato cobalt(III) complexes. The molecular structures of trans-bis(diphenylglyoximato)(alkyl)(pyridine)cobalt(III), with alkyl=CH2SiMe3, CH2CMe3 and CF3
  作者：Paul J Toscano、Linda Lettko、E.James Schermerhorn、John Waechter、Kevin Shufon、Shuncheng Liu、Evgeny V Dikarev、Jon Zubieta

  DOI：10.1016/s0277-5387(03)00408-x

  日期：2003.9

  corresponding Co(III) dimethylglyoximato (DH) complexes, pyCo(DH)2R (2b–12b). The NMR results suggest that the dpgh ligand is less electron-donating than DH. X-ray diffraction studies of complexes 8a, 9a and 12a demonstrate that subtle, but detectable structural changes occur upon substitution of dpgh for DH, due to increased interactions of the axial alkyl ligand with the equatorial ligand set.

  摘要一系列Co（III）二苯基乙二醛肟（dpgh）配合物pyCo（dpgh）2R，R = Cl（2a），CH3（3a）， Me（4a），（CH2）2Me（5a），（ ）3Me使用Co（dpgh）（dpgh2）Cl2（1a）制备（6a），CHMe2（7a）， SiMe3（8a）， CMe3（9a）， CH = （10a）， Ph（11a）和CF3（12a）。 ）作为该系统的入口。通过1 H和13 C NMR光谱对化合物进行了全面表征，并将其光谱与相应的Co（III）二甲基乙二酮肟（DH）配合物pyCo（DH）2R（2b-12b）进行了比较。NMR结果表明，dpgh配体的电子给体少于DH。配合物8a，9a和12a的X射线衍射研究表明，由于轴向烷基配体与赤道配体的相互作用增加，在用dpgh代替DH时会发生细微但可检测到的结构变化。
• Molecular Oxygen Insertion in Benzylcobaloximes with Mixed Dioximes
  作者：Gargi Dutta、Moitree Laskar、B. D. Gupta

  DOI：10.1021/om700938w

  日期：2008.7.1

  The complexes ArCH2CO(gH)(dpgH)Py have been synthesized and characterized by NMR. Molecular oxygen insertion into the Co-C bond in ArCH2CO(L)(dpgH)Py (L = gH, dmgH, chgH) complexes under photochemical conditions forms a mixture of products within 5 min. The equilibration/decomposition of ArCH2Co(L)(dpgH)Py to the corresponding ArCH2Co(L)(2)Py and ArCH2Co(dpgH)(2)Py complexes and molecular oxygen insertion starts immediately and simultaneously. The ratio of these products changes with time, and finally ArCH2(O-2)Co(L)(dpgH)Py and ArCH2(O-2)Co(dpgH)(2)Py are the major products formed. The spectral data are interrelated, and a good correlation is found between Delta delta(1)(H)(Py-alpha) and delta(13C)(C=N-gH) or delta(13C)(C=N-dpgH), indicating ring current throughout the metallabicycle. The CV data show that the dioxy complex is easier to reduce than the parent complex. The molecular structure of 4-Cl-C6H4CH2Co(dpgH)(gH)Py has been reported.