[n-Bu₄N]₂(MoO₄)

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [n-Bu₄N]₂(MoO₄)
• 英文别名: [(n-C4H9)4N]2[MoO4]；(n-Bu4N)3(MoO4)；[n-Bu4N]2[MoO4]；(Bu4N)2[MoO4]
• 化学式: 2C₁₆H₃₆N*MoO₄
• 分子量: 644.875
• InChiKey: KLKDSNWVLNODAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  22.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.26
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [n-Bu₄N]₂(MoO₄) 、 重氧水 以 乙腈 为溶剂， 生成 (Bu4N)2[Mo(18)O4]
  参考文献：
  名称：

  Gas-Phase Reactivity of Heterobinuclear Oxometalate Anions [CrMoO₆(OR)]^-, [CrWO₆(OR)]^-, and [MoWO₆(OR)]^- (R = H, ⁿBu)

  摘要：

  Heterobinuclear oxometalate anions based upon [CrMoO7](2-), [CrWO7](2-), and [MoWO7](2-) were generated and transferred to the gas phase by the electrospray process from acetonitrile solutions containing two of the salts (Bu4N)(2)[MO4] (M = Cr, Mo, W). Their reactivities were examined and compared with those of the related homobinuclear anions based upon [M2O7](2-) (M = Cr, Mo, W). Particular emphasis was placed upon reactions relevant to gas-phase catalytic cycles described previously for oxidation of alcohols by [Mo2O6(OH)](-) (Waters, T.; O'Hair, R. A. J.; Wedd, A. G. J. Am. Chem. Soc. 2003, 125, 3384-3396). The protonated anions [MM'O-6(OH)](-) each reacted with methanol with loss of water to form [MM'O-6(OCH3)](-) at a rate that was intermediate between those of [M2O6(OH)](-) and [M'O-2(6)(OH)](-). The butylated anions [MM'O-6(OBu)](-) were generated by collisional activation of the ion-pairs {Bu4N+[MM'O-7](2-)}(-). Collisional activation of [MM'O-6(OBu)](-) resulted in either the loss of butanal (redox reaction) or the loss of butene (elimination reaction), with the detailed nature of the observations depending on the nature of both M and M'. Selective O-18 labeling indicated that the butoxo ligands of [CrMoO6(OBu)](-) and [CrWO6(OBu)](-) were located on molybdenum and tungsten, respectively. This structural insight allowed a more detailed comparison of reactivity with the homobinuclear species, and highlighted the importance of the neighboring metal center in these reactions.

  DOI：

  10.1021/ic050288z
• 作为产物：
  描述：

  四丁基氢氧化铵 、 molybdenum(VI) oxide 以 水 为溶剂， 反应 0.17h， 以87%的产率得到[n-Bu₄N]₂(MoO₄)
  参考文献：
  名称：

  单体磷酸酯催化的α，β-不饱和化合物对吲哚的选择性N-烷基化

  摘要：

  吲哚的催化N-烷基化具有挑战性，因为N1氮原子对亲电试剂呈惰性。在此，具有高电荷密度的简单单体磷酸根离子[PO 4 ] 3−的有机溶剂可溶的烷基铵盐可作为有效的均相催化剂，用于用α，β-不饱和化合物对吲哚进行选择性N-烷基化。对于吲哚与丙烯酸乙酯的反应，周转数达到36，周转频率为216h -1。这些值是迄今为止针对基础介导系统报告的最高值。在[PO 4 ] 3-的存在下离子，氮亲核试剂的各种组合（十个实例）和α，β-不饱和化合物（四个实例）以高收率有效地转化为所需的N-烷基化产物。NMR和IR光谱表明，吲哚阴离子是通过[PO 4 ] 3--离子激活吲哚而形成的，这在当前的N-烷基化中起着重要作用。

  DOI：

  10.1002/cctc.201402309