HN(SiMe₃)[P(i-Pr)₂(CS₂)] | 1443793-96-1

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: HN(SiMe₃)[P(i-Pr)₂(CS₂)]
• 英文别名: [Di(propan-2-yl)-(trimethylsilylamino)phosphaniumyl]methanedithioate
• CAS: 1443793-96-1
• 化学式: C₁₀H₂₄NPS₂Si
• 分子量: 281.499
• InChiKey: FNQYYDLSLWKBBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  45.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  HN(SiMe₃)[P(i-Pr)₂(CS₂)] 、 diethylzinc 以 正己烷 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Activation of CO2 and CS2 by (Me3Si)(i-Pr2P)NH and its zinc complex

  摘要：

  The reaction of (Me3Si)(i-Pr2P)NH with ZnEt2 gives the complex {[(Me3Si)(i-Pr2P)N]ZnEt}(2), which was characterized by multinuclear NMR spectroscopy and X-ray crystallography. This Zn complex reacts with CO2 to give an adduct with the proposed formula of [(Me3Si)N(i-Pr2PCO2)]ZnEt that undergoes further transformation into the crystallographically characterized di-adduct [(Me3Si)N(i-Pr2PCO2)](2)Zn, in addition to a Zn-6 cluster containing both P-CO2 adducts and fragments of the isocyanate i-Pr2P-N=C=O. These reaction pathways have been separately observed in related group 2 and group 14 complexes, but not previously within the same molecule. Reactions with the related heteroallene CS2 were also examined. The free ligand (Me3Si)(i-Pr2P)NH reacts with CS2 to form a bright red, crystalline adduct (Me-3 Si)[P(i-Pr)(2)(CS2)]NH. This adduct was treated with ZnEt2 to provide the same product that is obtained from the reaction of {[(Me3Si)(i-Pr2P)N]ZnEt}(2) with CS2, proposed to be a dithiocarbamate complex, with the CS2 bound to the N instead of the P atom. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.048
• 作为产物：
  描述：

  二硫化碳 、 N-trimethylsilylamide of diisopropylphosphinous acid 以 正戊烷 为溶剂， 反应 0.25h， 以88%的产率得到HN(SiMe₃)[P(i-Pr)₂(CS₂)]
  参考文献：
  名称：

  Activation of CO2 and CS2 by (Me3Si)(i-Pr2P)NH and its zinc complex

  摘要：

  The reaction of (Me3Si)(i-Pr2P)NH with ZnEt2 gives the complex {[(Me3Si)(i-Pr2P)N]ZnEt}(2), which was characterized by multinuclear NMR spectroscopy and X-ray crystallography. This Zn complex reacts with CO2 to give an adduct with the proposed formula of [(Me3Si)N(i-Pr2PCO2)]ZnEt that undergoes further transformation into the crystallographically characterized di-adduct [(Me3Si)N(i-Pr2PCO2)](2)Zn, in addition to a Zn-6 cluster containing both P-CO2 adducts and fragments of the isocyanate i-Pr2P-N=C=O. These reaction pathways have been separately observed in related group 2 and group 14 complexes, but not previously within the same molecule. Reactions with the related heteroallene CS2 were also examined. The free ligand (Me3Si)(i-Pr2P)NH reacts with CS2 to form a bright red, crystalline adduct (Me-3 Si)[P(i-Pr)(2)(CS2)]NH. This adduct was treated with ZnEt2 to provide the same product that is obtained from the reaction of {[(Me3Si)(i-Pr2P)N]ZnEt}(2) with CS2, proposed to be a dithiocarbamate complex, with the CS2 bound to the N instead of the P atom. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.048