[Na][P(SnPh3)2] | 1578246-01-1

• 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: [Na][P(SnPh3)2]
• 英文别名: [Na][P(SnPh₃)₂]
• CAS: 1578246-01-1
• 化学式: C₃₆H₃₀PSn₂*Na
• 分子量: 754.018
• InChiKey: FCIQVSQHIQZZED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  40.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  15-冠醚-5 、 [Na][P(SnPh3)2] 以 四氢呋喃 、 乙醚 、 甲苯 为溶剂， 反应 0.5h， 以713 mg的产率得到[Na(benzo-15-crown-5)][P(SnPh₃)₂]
  参考文献：
  名称：

  The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles

  摘要：

  Treatment of P-4 with in situ generated [Na][SnPh3] leads to the formation of the sodium monophosphide [Na][P(SnPh3)(2)] and the Zintl salt [Na](3)[P-7]. The former was isolated in 46% yield as the crystalline salt [Na(benzo-15-crown-5)][P(SnPh3)(2)] and used to prepare the homoleptic phosphine P(SnPh3)(3), isolated in 67% yield, as well as the indium derivative (XL)(2)InP(SnPh3)(2) (XL = S(CH2)(2)NMe2), isolated in 84% yield, and the gold complex (Ph3P)AuP(SnPh3)(2). The compounds [Na(benzo-15-crown-5)][P(SnPh3)(2)], P(SnPh3)(3), (XL)(2)InP(SnPh3)(2), and (Ph3P)AuP(SnPh3)(2) were characterized using multinuclear NMR spectroscopy and X-ray crystallography. The bonding in (Ph3P)AuP(SnPh3)(2) was dissected using natural bond orbital (NBO) methods, in response to the observation from the X-ray crystal structure that the dative P -> Au bond is slightly shorter than the shared electron-pair P-Au bond. The bonding in (XL)(2)InP(SnPh3)(2) was also interrogated using P-31 and C-13 solid-state NMR and computational methods. Co-product [Na](3)[P-7] was isolated in 57% yield as the stannyl heptaphosphide P-7(SnPh3)(3), following salt metathesis with ClSnPh3. Additionally, we report that treatment of P-4 with sodium naphthalenide in dimethoxyethane at 22 degrees C is a convenient and selective method for the independent synthesis of Zintl ion [Na](3)[P-7]. The latter was isolated as the silylated heptaphosphide P-7(SiMe3)(3), in 67% yield, or as the stannyl heptaphosphide P-7(SnPh3)(3) in 65% yield by salt metathesis with ClSiMe3 or ClSnPh3, respectively.

  DOI：

  10.1021/ic403178j
• 作为产物：
  描述：

  sodium triphenylstannide 、 phosphorus 以 四氢呋喃 、 乙醚 、 甲苯 为溶剂， 生成 [Na][P(SnPh3)2] 、
  参考文献：
  名称：

  The Stannylphosphide Anion Reagent Sodium Bis(triphenylstannyl) Phosphide: Synthesis, Structural Characterization, and Reactions with Indium, Tin, and Gold Electrophiles

  摘要：

  Treatment of P-4 with in situ generated [Na][SnPh3] leads to the formation of the sodium monophosphide [Na][P(SnPh3)(2)] and the Zintl salt [Na](3)[P-7]. The former was isolated in 46% yield as the crystalline salt [Na(benzo-15-crown-5)][P(SnPh3)(2)] and used to prepare the homoleptic phosphine P(SnPh3)(3), isolated in 67% yield, as well as the indium derivative (XL)(2)InP(SnPh3)(2) (XL = S(CH2)(2)NMe2), isolated in 84% yield, and the gold complex (Ph3P)AuP(SnPh3)(2). The compounds [Na(benzo-15-crown-5)][P(SnPh3)(2)], P(SnPh3)(3), (XL)(2)InP(SnPh3)(2), and (Ph3P)AuP(SnPh3)(2) were characterized using multinuclear NMR spectroscopy and X-ray crystallography. The bonding in (Ph3P)AuP(SnPh3)(2) was dissected using natural bond orbital (NBO) methods, in response to the observation from the X-ray crystal structure that the dative P -> Au bond is slightly shorter than the shared electron-pair P-Au bond. The bonding in (XL)(2)InP(SnPh3)(2) was also interrogated using P-31 and C-13 solid-state NMR and computational methods. Co-product [Na](3)[P-7] was isolated in 57% yield as the stannyl heptaphosphide P-7(SnPh3)(3), following salt metathesis with ClSnPh3. Additionally, we report that treatment of P-4 with sodium naphthalenide in dimethoxyethane at 22 degrees C is a convenient and selective method for the independent synthesis of Zintl ion [Na](3)[P-7]. The latter was isolated as the silylated heptaphosphide P-7(SiMe3)(3), in 67% yield, or as the stannyl heptaphosphide P-7(SnPh3)(3) in 65% yield by salt metathesis with ClSiMe3 or ClSnPh3, respectively.

  DOI：

  10.1021/ic403178j