| 60354-01-0

• CAS: 60354-01-0；147513-99-3；150852-96-3；147513-98-2；60384-23-8
• 化学式: C₂₄H₂₄MoN₂O₁₀
• 分子量: 596.402
• InChiKey: ATIBGHNEYROIIL-CMMKKUAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  tetracarbonyl(2,2'-bipyridine)molybdenum 、 马来酸二甲酯 以 甲苯 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  八面体双（马来酸酯）钼（0）配合物的合成，结构和异构

  摘要：

  Treatment Of MO(CO)3(CH3CN)3 in acetonitrile with 1 equiv of o-phenylenediamine (PDA) and excess dimethyl maleate (DMMA) at ambient temperature gave trans-Mo(CO)2(DMMA)2-(PDA) (1). There are three possible conformations d-I-d-III for the two trans DMMA ligands in 1. On the basis of the chemical shifts of olefin and methyl protons, the conformation of the DMMA ligands in 1 was determined to be d-I. Complexes trans-MO(CO)2(DMMA)2(NN) (NN = bpy (2), phen (3)) were synthesized by treating MO(CO)4(NN) with excess DMMA in refluxing toluene for 4 h. The conformation of these complexes in solution indicated by NMR data is d-III. Complexes 1-3 isomerize to the corresponding trans-MO(CO)2(DMMA)(DMFU)(NN) (NN = PDA (4), bpy (5), phen (6)) and then to trans-MO(CO)2(DMFU)2(NN). There are four possible conformations e-I-e-IV of a trans-MO(CO)2(DMMA)(DMFU)(NN) complex. The conformation of Mo(CO)2(DMMA)(DMFU)(PDA) (4) determined by X-ray crystallography was shown to be e-1. The same conformation was also observed in solution by NMR spectroscopy. Compound 4 crystallizes in monoclinic space group P2(1)/c with cell parameters a = 14.636(3) angstrom, b = 9.998(3) angstrom, c = 15.845(6) angstrom, beta = 93.02(1)-degrees, and Z = 4; R = 0.0309 and R(w) = 0.0295 for 2552 independent reflections with intensity greater-than-or-equal-to 3sigma(I). The low-temperature H-1 NMR spectra of 5 and 6 show that they exist as mixtures of rotamers e-II and e-Ill that undergo exchange at ambient temperature. The mechanism for the isomerization of coordinated DMMA to DMFU ligand is discussed.

  DOI：

  10.1021/om00033a011