[((cyclohexyl)3P)Pt(μ-I)(BI2)]2*C6H6 | 955965-88-5

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: [((cyclohexyl)3P)Pt(μ-I)(BI2)]2*C6H6
• CAS: 955965-88-5
• 化学式: C₆H₆*C₃₆H₆₆B₂I₆P₂Pt₂
• 分子量: 1812.19
• InChiKey: FCNXIDVXRXDURT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  54.0
• 可旋转键数：
  10.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  [((cyclohexyl)3P)Pt(μ-I)(BI2)]2*C6H6 、 三环己基膦 以 苯 为溶剂， 生成 trans-[((cyclohexyl)3P)2Pt(I)(BI2)]*0.5C6H6
  参考文献：
  名称：

  Syntheses of Mono- and Dinuclear Diiodoboryl Complexes of Platinum

  摘要：

  Treatment of [Pt(PCy3)(2)] (Cy = cyclohexyl) with Bl(3) afforded trans-[(Cy3P)(2)Pt(I)(Bl(2))] by the oxidative addition of a B-I bond. The title compound represents the first diiodoboryl complex and was fully characterized by NMR spectroscopy and X-ray diffraction analysis. The latter revealed a very short Pt-B distance, thus indicating a pronounced 7 contribution to this bond. By the addition of another 1 equiv of Bl(3) to, trans-[(Cy3P)(2)Pt(I) (BI2)], a new Pt species [(Cy3P)(I2B)Pt(mu-I)](2) was formed with concomitant buildup of the phosphine borane adduct [Cy3P-BI3]. The former is obviously obtained by abstraction of PCy3 from trans-[(Cy3P)(2)Pt(I)(BI2)] and the subsequent dimerization of two remaining fragments. Interestingly, the dimerization is reversible, and the dinuclear compound can be converted to trans-[(Cy3P)(2)Pt(I)(BI2)] upon the addition of PCy3.

  DOI：

  10.1021/ic7011028
• 作为产物：
  描述：

  Pt(P(c-C6H11)3)2 、 三碘化硼 、 苯 以 正己烷 为溶剂， 以43%的产率得到[((cyclohexyl)3P)Pt(μ-I)(BI2)]2*C6H6
  参考文献：
  名称：

  Syntheses of Mono- and Dinuclear Diiodoboryl Complexes of Platinum

  摘要：

  Treatment of [Pt(PCy3)(2)] (Cy = cyclohexyl) with Bl(3) afforded trans-[(Cy3P)(2)Pt(I)(Bl(2))] by the oxidative addition of a B-I bond. The title compound represents the first diiodoboryl complex and was fully characterized by NMR spectroscopy and X-ray diffraction analysis. The latter revealed a very short Pt-B distance, thus indicating a pronounced 7 contribution to this bond. By the addition of another 1 equiv of Bl(3) to, trans-[(Cy3P)(2)Pt(I) (BI2)], a new Pt species [(Cy3P)(I2B)Pt(mu-I)](2) was formed with concomitant buildup of the phosphine borane adduct [Cy3P-BI3]. The former is obviously obtained by abstraction of PCy3 from trans-[(Cy3P)(2)Pt(I)(BI2)] and the subsequent dimerization of two remaining fragments. Interestingly, the dimerization is reversible, and the dinuclear compound can be converted to trans-[(Cy3P)(2)Pt(I)(BI2)] upon the addition of PCy3.

  DOI：

  10.1021/ic7011028