| 1380114-58-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1380114-58-8
• 化学式: C₂₂H₂₆P*I
• 分子量: 448.327
• InChiKey: HEKGIVHEOVIVGH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 2.0h， 以64%的产率得到
  参考文献：
  名称：

  New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites

  摘要：

  A set of lithium phosphonium diylides Li[CH2-PR2-Cp-X] (9-12; Cp-X = C5Me4, C(5)H(3)tBu, R = Ph, Me) is presented. Two of the lithium complexes were characterized by means of single-crystal X-ray analysis, revealing a dimeric head-to-tail arrangement in the solid state. The coordination behavior of 9-12 in the liquid phase is solvent dependent These lithium phosphonium diylides exist as contact ion pairs in benzene and as solvent-separated ion pairs in THF solutions. Phosphonium salts [H3C-PR2-(CpH)-H-X)]I-+(-) (1-4) are starting materials for the syntheses of the title compounds and exist as mixtures of isomers due to [1,5]-prototropic rearrangements. The dynamic behavior in solution has been investigated. Two different routes allow access to title compounds 9-12. Reactions of 1-4 with 2 equiv of nBuLi give 9-12 in a one-pot synthesis. in an alternative two-step route, dehydrodehalogenation of 1-4 with KH gives the corresponding phosphonium ylides 5-8. Two of these phosphonium ylides were characterized by single-crystal Xray analysis. In one case two different conformers were obtained.

  DOI：

  10.1021/om201182y