| 356566-47-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 356566-47-7
• 化学式: C₈H₂₀N*C₁₃H₂₂CoN₂O₂S₂
• 分子量: 491.709
• InChiKey: OPDISDVCLQUAQS-UHFFFAOYSA-J

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：

  、 氰化四乙基铵 以 乙腈 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  A square-planar di-N-carboxamido, dithiolato–cobalt(III) complex related to nitrile hydratase metallic site. Addition of axial ligands and EXAFS study of the derived dicyano and diisocyanido complexes

  摘要：

  A square-planar cobalt(III) complex with a N2S2 di-N-carboxamido di-thiolato tetradentate ligand, mimics the metal core of the cobalt containing nitrile hydratases. It forms hexacoordinated complexes only upon addition of ligands like cyanide or isocyanides. An EXAFS analysis confirmed that two axial ligands get bound, and lead to a significant increase of the bond lengths between the cobalt(III) and the equatorial ligands. Whereas the planar complex is stable in the presence of air or hydrogen peroxide, its hexacoordinated derivatives with strong sigma -donor axial ligands undergo an oxygenation of the equatorial thiolate ligands. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00413-3
• 作为产物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成
  参考文献：
  名称：

  A square-planar di-N-carboxamido, dithiolato–cobalt(III) complex related to nitrile hydratase metallic site. Addition of axial ligands and EXAFS study of the derived dicyano and diisocyanido complexes

  摘要：

  A square-planar cobalt(III) complex with a N2S2 di-N-carboxamido di-thiolato tetradentate ligand, mimics the metal core of the cobalt containing nitrile hydratases. It forms hexacoordinated complexes only upon addition of ligands like cyanide or isocyanides. An EXAFS analysis confirmed that two axial ligands get bound, and lead to a significant increase of the bond lengths between the cobalt(III) and the equatorial ligands. Whereas the planar complex is stable in the presence of air or hydrogen peroxide, its hexacoordinated derivatives with strong sigma -donor axial ligands undergo an oxygenation of the equatorial thiolate ligands. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00413-3

文献信息

• Bis-axial cyanide coordination induces high nucleophilicity of the in-plane thiolato ligands bound to a Co(III) center: model complexes related to the Co-containing nitrile hydratases
  作者：Laurent Heinrich、Aude Mary-Verla、Jacqueline Vaissermann、Jean-Claude Chottard、Yun Li

  DOI：10.1016/j.ica.2004.02.011

  日期：2004.7

  In situ cyanide bis-axial coordination of a square planar complex [CoIIIN2S2]−, containing a di-N-carboxamido and dithiolato tetradentate ligand, generates the highly nucleophilic species [CoIIIN2S2(CN)2]3−. Its di-S-chloromethylation and di-S-oxygenation products were isolated and structurally characterized.

  含有二-N-羧酰胺基和二硫代巯基四齿配体的方形平面络合物[Co III N 2 S 2 ] -的原位氰化物双轴配位产生高度亲核性的物种[Co III N 2 S 2（C N）2 ] 3−。分离了其二-S-氯甲基化和二-S-加氧产物并对其结构进行了表征。