| 259250-09-4

• CAS: 259250-09-4
• 化学式: C₂₀H₁₉O₅PW
• 分子量: 554.192
• InChiKey: ZRQMBHBSTFZTRV-JQKDLOGESA-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：

  以 xylene 为溶剂， 生成
  参考文献：
  名称：

  The 2-Vinylphosphirane−3-Phospholene Rearrangement:  Biradicaloid and Concerted Features

  摘要：

  Activation parameters have been determined for the 2-vinylphosphirane-3-phospholene rearrangement in the cycloheptane annellated series 7 --> 8. For the thermal reaction, the mean activation parameters (Delta H-double dagger = 125 +/- 5 kJ mol(-1) and Delta S-double dagger = 1 +/- 14 J K-1 mol(-1)) are as expected for a biradicaloid character of the transition structure. In the presence of Cu(I) as a catalyst, the activation parameters for this conversion (Delta H-double dagger = -80.2 +/- kl mol(-1) and Delta S-double dagger -100 +/- 7 J K-1 mol(-1)) are strikingly different and more in line with a concerted pathway.

  DOI：

  10.1021/ja993829q
• 作为产物：
  描述：

  syn-[5,6-dimethyl-2,3-bis(methoxycarbonyl)-7-phenyl-7-phosphanorbornadiene]pentacarbonyltungsten 、 1,2-dimethylenecycloheptane 在 copper(l) chloride 作用下， 以 xylene 为溶剂， 以81%的产率得到
  参考文献：
  名称：

  The 2-Vinylphosphirane−3-Phospholene Rearrangement:  Biradicaloid and Concerted Features

  摘要：

  Activation parameters have been determined for the 2-vinylphosphirane-3-phospholene rearrangement in the cycloheptane annellated series 7 --> 8. For the thermal reaction, the mean activation parameters (Delta H-double dagger = 125 +/- 5 kJ mol(-1) and Delta S-double dagger = 1 +/- 14 J K-1 mol(-1)) are as expected for a biradicaloid character of the transition structure. In the presence of Cu(I) as a catalyst, the activation parameters for this conversion (Delta H-double dagger = -80.2 +/- kl mol(-1) and Delta S-double dagger -100 +/- 7 J K-1 mol(-1)) are strikingly different and more in line with a concerted pathway.

  DOI：

  10.1021/ja993829q