5,6-diphenyl-2-(trimethylsilyl)phosphinine | 565469-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,6-diphenyl-2-(trimethylsilyl)phosphinine
• 英文别名: (5,6-diphenylphosphinin-2-yl)-trimethylsilane
• CAS: 565469-76-3
• 化学式: C₂₀H₂₁PSi
• 分子量: 320.446
• InChiKey: SGUOSBPOZJACEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.15
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 5,6-diphenyl-2-(trimethylsilyl)phosphinine 以 二氯甲烷 为溶剂， 生成 [(cyclooctadiene)(η6-5,6-diphenyl-2-trimethylsilylphosphinine)rhodium(I)] tetrafluoroborate 、 [(cyclooctadiene)bis(η1-5,6-diphenyl-2-trimethylsilylphosphinine)rhodium(I)] tetrafluoroborate
  参考文献：
  名称：

  Synthesis and Reactivity of the First η ⁶ ‐Rhodium( I ) and η ⁶ ‐Iridium( I ) Complexes of 2,6‐Bis(trimethylsilyl)phosphinines

  摘要：

  AbstractIt has been shown that 2 equiv. of 2,3,5,6‐tetraphenylphosphinine (2) react with [Rh(COD)2][BF4] to yield the bis(η1‐phosphinine)RhI complex 6, whose X‐ray crystal structure is presented. On the other hand, 2,6‐bis(trimethylsilyl)phosphinines 4 and 5 react with Rh+ and Ir+ precursors to yield the first (η6‐phosphinine)RhI and ‐IrI complexes 7−10, and 11−12, respectively. The X‐ray crystal structure of complex 8 is presented. Reaction of these η6‐phosphinine complexes with water or ethanol yields the first (η5‐phosphacyclohexadienyl)RhI and ‐IrI complexes 13−17, resulting from the formal 1,1‐addition of RO− and H+. DFT calculations comparing isoelectronic (η6‐phosphinine)‐ and (η6‐benzene)Fe0 and ‐RhI complexes allows the rationalization of the large difference in reactivity of these complexes. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390095
• 作为产物：
  描述：

  二苯基乙炔 、 (6-Tert-butylazaphosphinin-3-yl)-trimethylsilane 以 甲苯 为溶剂， 反应 16.0h， 以480 mg的产率得到5,6-diphenyl-2-(trimethylsilyl)phosphinine
  参考文献：
  名称：

  Synthesis and Reactivity of the First η ⁶ ‐Rhodium( I ) and η ⁶ ‐Iridium( I ) Complexes of 2,6‐Bis(trimethylsilyl)phosphinines

  摘要：

  AbstractIt has been shown that 2 equiv. of 2,3,5,6‐tetraphenylphosphinine (2) react with [Rh(COD)2][BF4] to yield the bis(η1‐phosphinine)RhI complex 6, whose X‐ray crystal structure is presented. On the other hand, 2,6‐bis(trimethylsilyl)phosphinines 4 and 5 react with Rh+ and Ir+ precursors to yield the first (η6‐phosphinine)RhI and ‐IrI complexes 7−10, and 11−12, respectively. The X‐ray crystal structure of complex 8 is presented. Reaction of these η6‐phosphinine complexes with water or ethanol yields the first (η5‐phosphacyclohexadienyl)RhI and ‐IrI complexes 13−17, resulting from the formal 1,1‐addition of RO− and H+. DFT calculations comparing isoelectronic (η6‐phosphinine)‐ and (η6‐benzene)Fe0 and ‐RhI complexes allows the rationalization of the large difference in reactivity of these complexes. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390095