| 148482-40-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 148482-40-0
• 化学式: C₁₀H₂₀Cl₂MoN₂O₂
• 分子量: 367.127
• InChiKey: FSGYIBIPCUQVBC-FDYWDBDWSA-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

• 作为产物：
  描述：

  [MoO2Cl2(THF)2] 、 N,N'-二丁基-1,2-乙二亚胺 以 四氢呋喃 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  双（卤素）二氧钼（VI）的路易斯碱加合物：合成，结构和催化应用

  摘要：

  溶剂取代的MoO 2 X 2（Solv）2配合物（（Solv）= THF，CH 3 CN）与单和二齿氮和氧供体配体的反应导致MoO 2 X 2 L 2类型的配合物以接近定量的产率产生在室温下几分钟。使用选定的配合物的NMR和NMR数据以及MoO的IR振动来探测配体对金属和MoO键的电子性质的影响。另外还通过单晶X射线分析检查了两种络合物。MoO 2 X 2 L 2的活性叔丁基过氧化氢作为氧化剂在烯烃环氧化中作为催化剂的配合物取决于有机配体L和卤代配体X的性质。Cl和Br取代的配合物之间观察到的活性差异不是很明显。通常，Cl衍生物比它们的Br类似物更具活性。有机配体L对催化性能显示出显着影响。在所有情况下，具有在N处带有芳族取代基的配体的配合物都比带有脂族取代基的那些具有更高的活性。较低活性的复合物可以通过升高温度和延长反应时间来活化。在所有观察到的情况下，这些变化都会显着提高产品的产量。

  DOI：

  10.1016/s1381-1169(99)00262-9

文献信息

• Complexes of MoO2Cl2 and WO2Cl2 with the ligands N,N,N′,N′-tetramethylethylenediamine, N,N′-di-t-butyl-1,4-diaza-1,3-butadiene and N,N′-dimethylpiperazine. cis,trans,cis vs all cis coordination in bidentate N-donor complexes of WO2Cl2 and MoO2Cl2. Crystal structures of MoO2Cl2(N,N,N′,N′-tetramethylethylenediamine) and MoO2Cl2(N,N′-DI-t-butyl-1,4-diaza-1,3-butadiene)
  作者：Klaus Dreisch、Carlaxel Andersson、Claes St»lhandske

  DOI：10.1016/s0277-5387(00)81728-3

  日期：1993.2

  The complexes [MoO2Cl2(But-dab)], [WO2Cl2(But-dab)] (But-dab = N,N'-di-t-butyl-1,4-diaza-1,3-butadiene), [MoO2Cl2(dmp)] and [WO2Cl(dmp)] (dmp = N,N'-dimethylpiperazine) have been prepared and characterized by IR, Raman, H-1 and C-13 NMR spectroscopy. [MO2Cl2(dmp)] (M = Mo, W) has cis-dichloroligands and [MoO2Cl2(dmp)] shows fluxional behaviour of the coordinated ligand in CH2Cl2 solution, as monitored by H-1 NMR spectroscopy. The structures of [MoO2Cl2(tmen)] (tmen= N,N,N',N'-tetramethylethylenediamine) and [MoO2Cl2(But-dab)] are reported. Both compounds are built up of discrete molecules with distorted octahedral geometry and cis-dioxoligands, the former having the unusual cis-dichloro and the latter the common trans-dichloro arrangement. MoO2Cl2(tmen) has Mo=O distances of 1.681(4) and 1.697(4) angstrom with an O-Mo-O angle of 103.1(2)-degrees. The trans influence of the oxo-ligands is shown by two different Mo-Cl distances [2.449(2) angstrom trans to O and 2.338(2) angstrom trans to N] and two different Mo-N distances [2.464(4) angstrom trans to O and 2.278(4) angstrom trans to Cl]. MoO2Cl2(But-dab) has an Mo=O distance of 1.688(3) and an O-Mo-O angle of 104.5(2)degrees. The trans-dichloro ligands have equal distances to molybdenum, d(Mo-Cl) = 2.356(1) angstrom. The Mo-N distances of the nitrogen atoms trans to the oxo groups are 2.399(2) and 2.388(2) angstrom.