[MoO2(OSiPh3)2] | 91793-48-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [MoO2(OSiPh3)2]
• 英文别名: MoO2(OSiPh3)2
• CAS: 91793-48-5
• 化学式: C₃₆H₃₀MoO₄Si₂
• 分子量: 678.743
• InChiKey: SQCZAENALHZDMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [MoO2(OSiPh3)2] 在 triphenylphosphine 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Huang, Miogdong; DeKock, Carroll W., Inorganic Chemistry, 1993, vol. 32, # 11, p. 2287 - 2291

  摘要：

  DOI：
• 作为产物：
  描述：

  silver(I) molybdate 、 三苯基氯硅烷 以 1,2-二氯乙烷 、 乙腈 为溶剂， 以>90的产率得到[MoO2(OSiPh3)2]
  参考文献：
  名称：

  Huang, Miogdong; DeKock, Carroll W., Inorganic Chemistry, 1993, vol. 32, # 11, p. 2287 - 2291

  摘要：

  DOI：

文献信息

• Monodithiolene Molybdenum(V,VI) Complexes:  A Structural Analogue of the Oxidized Active Site of the Sulfite Oxidase Enzyme Family
  作者：Booyong S. Lim、Michael W. Willer、Mingming Miao、R. H. Holm

  DOI：10.1021/ja010786g

  日期：2001.8.1

  These complexes have square pyramidal structures with apical oxo ligands, exhibit rhombic EPR spectra, and 3-5 are electrochemically reducible to Mo(IV)O species. Complexes 1-6 constitute the first examples of five-coordinate monodithiolene Mo(V)O complexes; 6 approaches the proposed structure of the high-pH form of sulfite oxidase. Treatment of [MoO(2)(OSiPh(3))(2)] with Li(2)(bdt) in THF affords [M

  黄嘌呤氧化酶和亚硫酸盐氧化酶家族的活性位点包含一个结合到钼原子上的蝶呤-二硫烯辅因子配体。因此，已经通过探索性合成寻找用于结构和反应性研究的单二硫烯钼配合物。[MoO(S(2)C(2)Me(2))(2)](1-) 或 [MoO(bdt)(2)](1-) 与 PhSeCl 的反应导致去除一个二硫醇配体和[MoOCl(2)(S(2)C(2)Me(2))](1-) (1) 或 [MoOCl(2)(bdt)](1-) (2) 的形成，其经历配体形成其他单二硫烯配合物的取代反应 [MoO(2-AdS)(2)(S(2)C(2)Me(2))](1-) (3), [MoO(SR)(2)(bdt )](1-) (R = 2-Ad (4), 2,4,6-Pr(i)(3)C(6)H(2) (5)) 和 [MoOCl(SC(6) H(2)-2,4,6-Pr(i)(3))(bdt)](1-) (6)（Ad = 2-金刚烷基，bdt
• The Unperturbed Oxo−Sulfido Functional Group <i>cis</i>-Mo^VIOS Related to That in the Xanthine Oxidase Family of Molybdoenzymes:  Synthesis, Structural Characterization, and Reactivity Aspects
  作者：Anders Thapper、James P. Donahue、Kristin B. Musgrave、Michael W. Willer、Ebbe Nordlander、Britt Hedman、Keith O. Hodgson、R. H. Holm

  DOI：10.1021/ic990440v

  日期：1999.9.1

  The oxo-sulfido functional group Cis-(MoOS)-O-VI is essential to the activity of the xanthine oxidase family of enzymes but has proven elusive to synthesis in molecules containing no other four-electron ligands. A direct route to molecules containing this group has been achieved. The reaction system [MoO2(OSiPh3)(2)]/L in dichloromethane yields the complexes [(MoO2)-O-VI(OSiPh3)(2)L] (L = phen (1), Me(4)phen (2), 4,4'-Me(2)bpy (3), 5,5'-Me(2)bpy (4), 2 py (5)) (74-96%), which are shown to have a distorted octahedral structure of crystallographically imposed C-2 symmetry (1, 5) with cis oxo and trans silyloxy ligands. The related reaction system [MoO3S](2-)/2Ph(3)SiCl/L in acetonitrile affords the complexes [(MoOS)-O-VI(OSiPh3)(2)L] (L = phen (6), Me(4)phen (7), 4,4'-Me(2)bpy (8), 5,5'-Me(2)bpy (9)) (36-69%). From the collective results of elemental analysis, mass spectrometry, H-1 NMR, and X-ray structure determinations (6, 7), complexes 6-9 are shown to contain the cis-(MoOS)-O-VI group in molecules with the same overall stereochemistry as dioxo complexes 1-5. The crystal structures of 6 and 7 exhibit O/S disorder, which was modeled in refinements with 50% site occupancies. The Mo=O (1.607(5) (6), 1.645(5) (7) Angstrom) and Mo=S (2.257(3) (6), 2.203(2) (7) Angstrom) bond distances obtained in this way are somewhat shorter and longer, respectively, than expected. Distances obtained 6-9 (Mo=O 1.71-1.72 Angstrom; Mo=S 2.18-2.19 Angstrom) are considered more satisfactory and are in good agreement with EXAFS values for xanthine oxidase. Molybdenum K-edge data for 1 and 6-9 are reported. Reaction of 7 with Ph3P in dichloromethane results in sulfur abstraction and formation of [(MoOCl)-O-V(OSiPh3)(2)(Me(4)phen)] (10), which has a distorted octahedral structure with cis O/Cl and cis silyloxy ligands. Sulfur rather than oxygen abstraction is favored by relative Mo=O/Mo=S bond strengths. Complexes 6-9 should allow exploration of the biologically significant Cis-(MoOS)-O-VI group.