hydrido(2-diphenylphosphanyl)-2-thiophenolato[P,S]-1,3-bis[(diphenylphosphanyl)-propane]nickel | 1161924-31-7

• 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: hydrido(2-diphenylphosphanyl)-2-thiophenolato[P,S]-1,3-bis[(diphenylphosphanyl)-propane]nickel
• CAS: 1161924-31-7
• 化学式: C₄₅H₄₁NiP₃S
• 分子量: 765.498
• InChiKey: CGLROMAITUIYDW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.72
• 重原子数：
  50.0
• 可旋转键数：
  6.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  hydrido(2-diphenylphosphanyl)-2-thiophenolato[P,S]-1,3-bis[(diphenylphosphanyl)-propane]nickel 以 四氢呋喃 为溶剂， 生成 (2-diphenylphosphanyl)-2-thionaphtholato[P,S]bis(trimethylphosphine)nickel
  参考文献：
  名称：

  Syntheses and properties of molecular nickel(II) hydride, methyl, and nickel(I) complexes supported by trimethylphosphane and (2-diphenylphosphanyl)thiophenolato and -naphtholato ligands

  摘要：

  2-Diphenylphosphanyl) thiophenol (PpSH) or (3-diphenylphosphanyl)-2-thionaphthol (PnSH) react with Ni(PMe3)(4) to form NiH(PpS)(PMe3)(2) (1) or NiH(PnS)(PMe3)(2) (2). 1,3-Bis(diphenylphosphanyl) propane (PP) replaces the monodentate phosphane ligands to give NiH(PpS)(PP) (3). NiMe(OMe)(PMe3) or NiMe2(PMe3)(3) react with PpSH to form NiMe(PpS)(PM3) (4) and NiMe( PpS)( PMe3)(2) (5), respectively, and PnSH affords NiMe(PnS)(PMe3)(2) (6), NiMe(PnS)(PMe3) (7). Dissociation of PMe3 ligands induces transformation of 1 to Ni(PpS)(PMe3)(2) (8) and Ni(PpS)(2). Crystal and molecular structures are given for 1, 5- 8, and dynamic solution spectra (NMR, EPR) are discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.023
• 作为产物：
  描述：

  tetrakis(trimethylphosphine)nickel(0) 、 (3-diphenylphosphanyl)-2-thionaphthol 、 1,3-双(二苯基膦)丙烷 以 四氢呋喃 为溶剂， 以89%的产率得到hydrido(2-diphenylphosphanyl)-2-thiophenolato[P,S]-1,3-bis[(diphenylphosphanyl)-propane]nickel
  参考文献：
  名称：

  Syntheses and properties of molecular nickel(II) hydride, methyl, and nickel(I) complexes supported by trimethylphosphane and (2-diphenylphosphanyl)thiophenolato and -naphtholato ligands

  摘要：

  2-Diphenylphosphanyl) thiophenol (PpSH) or (3-diphenylphosphanyl)-2-thionaphthol (PnSH) react with Ni(PMe3)(4) to form NiH(PpS)(PMe3)(2) (1) or NiH(PnS)(PMe3)(2) (2). 1,3-Bis(diphenylphosphanyl) propane (PP) replaces the monodentate phosphane ligands to give NiH(PpS)(PP) (3). NiMe(OMe)(PMe3) or NiMe2(PMe3)(3) react with PpSH to form NiMe(PpS)(PM3) (4) and NiMe( PpS)( PMe3)(2) (5), respectively, and PnSH affords NiMe(PnS)(PMe3)(2) (6), NiMe(PnS)(PMe3) (7). Dissociation of PMe3 ligands induces transformation of 1 to Ni(PpS)(PMe3)(2) (8) and Ni(PpS)(2). Crystal and molecular structures are given for 1, 5- 8, and dynamic solution spectra (NMR, EPR) are discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.01.023