| 150822-96-1

• CAS: 150822-96-1
• 化学式: C₄H₁₀O*C₂₂H₁₈MoN₄O₆
• 分子量: 604.471
• InChiKey: FATGFIFNIYQPKV-UHFFFAOYSA-N

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：

  N-甲基马来酰亚胺 、 tetracarbonyl(2,2'-bipyridine)molybdenum 在 C₂H₅OC₂H₅ 作用下， 以 甲苯 为溶剂， 以93%的产率得到
  参考文献：
  名称：

  Mechanism of alkene rotation in octahedral d6 trans-bis(alkene) complexes of molybdenum

  摘要：

  Treatment Of MO(CO)4(NN) with 2 equiv of N-methylmaleimide in refluxing toluene led to the formation of Mo(CO)2(MeMI)2(NN) (MeMI = N-methylmaleimido, NN = bpy (1), phen (2)). There are three possible rotamers c-I-c-III for a bis(maleimido) complex. To learn the exact conformation of the imide ligands, 1 was selected for X-ray structural analysis. This compound crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 16.612-(4) angstrom, b = 14.187(3) angstrom, c = 13.759(4) angstrom, and beta = 125.94(2)-degrees with Z = 4; least-squares refinement based on 1794 independent observed reflections produced final R = 0.0235 and R(w) = 0.0242. The results of X-ray structural analysis reveal 1 to be distorted octahedral with the two CO groups cis to each other, but each trans to a pyridyl group. The two MeMI are mutually orthogonal, and each MeMI ligand eclipses a N-Mo-CO vector. In addition, the central nitrogen atom of each MeMI ligand points to one carbonyl group. Thus, the conformation of 1 in the solid state is c-I. Variable-temperature NMR studies of Mo(CO)2(MeMI)2(bpy) indicate that the complex in solution exists as a mixture of rotamers c-I and c-II that interchange rapidly above room temperature due to the rotation of the two alkene ligands. Several mechanisms of alkene rotation have been considered. From the NMR results of 1 and complexes MO(CO)2(DMFU)2(NN) (DMFU = dimethyl fumarato; NN = bpy and phen), we conclude that, in these octahedral trans-bis(alkene) complexes, alkene rotation takes place via a conrotatory mechanism. A dissociative process involving the exchange of free and coordinated alkenes and nondissociative mechanisms involving disrotatory motion and independent motion of the alkene ligands cannot account for all the observations.

  DOI：

  10.1021/om00033a031