MoCN(η3-allyl)(CO)2(bis(dimethylphosphino)methane) | 516465-76-2

• 英文名称: MoCN(η3-allyl)(CO)2(bis(dimethylphosphino)methane)
• CAS: 516465-76-2
• 化学式: C₁₁H₁₉MoNO₂P₂
• 分子量: 355.165
• InChiKey: QWUOGOFSDKHVTP-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：

  sodium cyanide 、 MoCl(η3-allyl)(CO)2(bis(dimethylphosphino)methane) 以 甲醇 、 二氯甲烷 为溶剂， 以68.4%的产率得到MoCN(η3-allyl)(CO)2(bis(dimethylphosphino)methane)
  参考文献：
  名称：

  Structural Divergence in the Products of the Reaction of [MoCl(η³-C₃H₅)(CO)₂(dmpm)] with Nucleophiles

  摘要：

  The complex [MOCl(eta(3)-allyl)(CO)(2)(dmpm)] (dmpm = bis(dimethylphosphino)methane) (1) reacts with sodium azide and with sodium cyanide to afford the new complexes [Mo(N-3)(eta(3)-allyl)(CO)(2)(dmpm)] (2) and [Mo(CN)(eta(3)-allyl)(CO)(2)(dmpm)] (3), respectively, which were characterized spectroscopically and by X-ray diffraction. Complex 2 is a cis-dicarbonyl in which one of the P atoms of dmpm is approximately trans to a carbonyl, and the other is trans to the allyl. In contrast, 3 is a rare trans-dicarbonyl. A theoretical analysis was applied to rationalize this difference.

  DOI：

  10.1021/om020919m