1-allyl-1-(prop-2-yn-1-yl)pyrrolidin-1-ium hexafluorophosphate(V) | 1337983-06-8

• 英文名称: 1-allyl-1-(prop-2-yn-1-yl)pyrrolidin-1-ium hexafluorophosphate(V)
• CAS: 1337983-06-8
• 化学式: C₁₀H₁₆N*F₆P
• 分子量: 295.208
• InChiKey: LMDQJNMGUCCBOH-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

• 作为反应物：
  描述：

  dicobalt octacarbonyl 、 1-allyl-1-(prop-2-yn-1-yl)pyrrolidin-1-ium hexafluorophosphate(V) 以 二氯甲烷 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry

  摘要：

  A series of dicobalt hexacarbonyl complexes with charged alkyne ligands were prepared to enable the study of the Pauson-Khand reaction using ESI-MS. The hexacarbonyl complexes can be activated in the gas phase through removal of a CO ligand. The resulting pentacarbonyl ions react readily with alkenes, and no discrimination between alkenes was found for this step, indicating that alkene association is not rate determining in the intermolecular reaction. Solution-phase ESI-MS studies on a system set up for intramolecular reactivity revealed only the hexacarbonyl complex as a detectable intermediate, and the reaction was shown to have a large enthalpy and entropy of activation, consistent with ligand dissociation being rate limiting in the reaction.

  DOI：

  10.1021/om200717r
• 作为产物：
  描述：

  1-allyl-pyrrolidine 在 sodium hexaflorophosphate 作用下， 以 乙醚 、 水 为溶剂， 生成 1-allyl-1-(prop-2-yn-1-yl)pyrrolidin-1-ium hexafluorophosphate(V)
  参考文献：
  名称：

  The Pauson-Khand Reaction: A Gas-Phase and Solution-Phase Examination Using Electrospray Ionization Mass Spectrometry

  摘要：

  A series of dicobalt hexacarbonyl complexes with charged alkyne ligands were prepared to enable the study of the Pauson-Khand reaction using ESI-MS. The hexacarbonyl complexes can be activated in the gas phase through removal of a CO ligand. The resulting pentacarbonyl ions react readily with alkenes, and no discrimination between alkenes was found for this step, indicating that alkene association is not rate determining in the intermolecular reaction. Solution-phase ESI-MS studies on a system set up for intramolecular reactivity revealed only the hexacarbonyl complex as a detectable intermediate, and the reaction was shown to have a large enthalpy and entropy of activation, consistent with ligand dissociation being rate limiting in the reaction.

  DOI：

  10.1021/om200717r