| 352353-96-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 352353-96-9
• 化学式: C₃₃H₃₄CoN₅O₅
• 分子量: 639.657
• InChiKey: XWLGAEBQWXYUJA-ZBOIAVBASA-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

• 作为反应物：
  描述：

  氧气 、 以 二氯甲烷 为溶剂， 生成 [Co(pyridine)(3-OMe-C6H4CH2)(O2)(1,2-cyclohexanedione dioximato)(diphenylglyoximato)] 、 [Co(pyridine)(3-OMe-C6H4CH2)(O2)(diphenylglyoximato)2]
  参考文献：
  名称：

  Molecular Oxygen Insertion in Benzylcobaloximes with Mixed Dioximes

  摘要：

  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.

  DOI：

  10.1021/om700938w
• 作为产物：
  描述：

  ClCo(III)(chgH)(dpgH)Py 、 3-甲氧基氯苄 在 NaOH 、 NaBH₄ 作用下， 以 甲醇 、 水 为溶剂， 以95%的产率得到
  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