tris(tri-n-butyl)phosphinonickel(0) | 61994-78-3

• 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: tris(tri-n-butyl)phosphinonickel(0)
• 英文别名: Nickel--tributylphosphane (1/3)；nickel;tributylphosphane
• CAS: 61994-78-3
• 化学式: C₃₆H₈₁NiP₃
• 分子量: 665.65
• InChiKey: SFPFWJGVAGXBRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  40
• 可旋转键数：
  27
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  tris(tri-n-butyl)phosphinonickel(0) 、 五氟苯硫醚 以 正己烷 为溶剂， 生成 trans-{Ni(P(Bu-n)3)2(C6F5S)(C6F5)}
  参考文献：
  名称：

  氧化芳基硫醚加成到低价镍中

  摘要：

  已显示二芳基硫醚暴露于三（三正丁基）次膦酸酯基（0）会导致氧化加成产物，其中一种已通过nmr光谱分析进行了表征，另一种已通过单晶X射线分析进行了表征。

  DOI：

  10.1039/c39860001390
• 作为产物：
  描述：

  {bis(tributylphosphine)nickelio}anthracene 、 三丁基膦 以 氘代四氢呋喃 为溶剂， 生成 Ni(PBu3)4 、 tris(tri-n-butyl)phosphinonickel(0)
  参考文献：
  名称：

  Synthesis and fluxional behavior of [bis(trialkylphosphine)nickelio]anthracene (alkyl = Et, Bu)

  摘要：

  The title compounds were prepared from the respective (R3P)2NiCl2 complexes and magnesium-anthracene-(THF)3 (or anthracene in the presence of Mg or C8K). The assignment of the anthracene proton NMR signals using NOE in conjunction with magnetization-transfer techniques is described. The complexes undergo haptotropic rearrangements in which the (R3P)2Ni moiety migrates between the two terminal rings of the coordinated anthracene. The rates of these processes are concentration independent and unaffected by the presence of free anthracene and tris(trialkylphosphine)nickel. Kinetic studies in the temperature range -60 to +70-degrees-C using line shape analysis and spin saturation transfer techniques were carried out. It was found that DELTA-H double-ended-dagger = 13.6 kcal mol-1 and DELTA-S double-ended-dagger = -4.3 eu for the haptotropic rearrangement in 2, and similar values were found for 1. Possible mechanisms are discussed. According to H-1, C-13, and P-31 NMR data, the coordination number between the anthracene and the (R3P)2Ni moiety is 4. However, an equilibrium between two eta(2) structures with DELTA-G double-ended-dagger less-than-or-equal-to 4 kcal mol-1 cannot be ruled out.

  DOI：

  10.1021/om00037a054

文献信息

• Reactions of halogen(2,4,6-tri-tert-butylphenylimino)phosphine complexes with electrophiles and nucleophiies: abstraction or substitution of the halogen
  作者：E. Niecke、J. F. Nixon、P. Wenderoth、B. F. Trigo Passos、M. Nieger

  DOI：10.1039/c39930000846

  日期：——

  The structure of the first nickel halogeniminophosphine complex, i.e.(PEt3)2Ni(X–PNAr)2(Ar = 2,4,6-tri-tert-butylphenyl); X = Cl is reported; reactions of this and related compounds with AlCl3 afford the cationic complexes 7–10; the alkyliminophosphine complexes 12 and 13 are obtained by treatment of the chloroiminophosphine complexes 1a and 4a with Grignard reagent.

  第一镍halogeniminophosphine复合物的结构，即（PET 3）2的Ni（X-P NAR）2（AR = 2,4,6-三-叔丁基苯基）; X =报道氯；这种反应和相关的化合物与氯化铝3得到阳离子络合物7 - 10 ; 烷基亚氨基膦配合物12和13是通过用格氏试剂处理氯亚氨基膦配合物1a和4a而获得的。
• Sibille, Soline; Folest, Jean-Claude; Coulombeix, Jose, Journal of Chemical Research - Part S
  作者：Sibille, Soline、Folest, Jean-Claude、Coulombeix, Jose、Troupel, Michel、Fauvarque, Jean-Francois、Perichon, Jacques

  DOI：——

  日期：——
• WENKERT E.; SHEPARD M. E.; MCPHAIL A. T., J. CHEM. SOC. CHEM. COMMUN.,(1986) N 17, 1390-1391
  作者：WENKERT E.、 SHEPARD M. E.、 MCPHAIL A. T.

  DOI：——

  日期：——
• Synthesis and fluxional behavior of [bis(trialkylphosphine)nickelio]anthracene (alkyl = Et, Bu)
  作者：Amnon Stanger、K. Peter C. Vollhardt

  DOI：10.1021/om00037a054

  日期：1992.1

  The title compounds were prepared from the respective (R3P)2NiCl2 complexes and magnesium-anthracene-(THF)3 (or anthracene in the presence of Mg or C8K). The assignment of the anthracene proton NMR signals using NOE in conjunction with magnetization-transfer techniques is described. The complexes undergo haptotropic rearrangements in which the (R3P)2Ni moiety migrates between the two terminal rings of the coordinated anthracene. The rates of these processes are concentration independent and unaffected by the presence of free anthracene and tris(trialkylphosphine)nickel. Kinetic studies in the temperature range -60 to +70-degrees-C using line shape analysis and spin saturation transfer techniques were carried out. It was found that DELTA-H double-ended-dagger = 13.6 kcal mol-1 and DELTA-S double-ended-dagger = -4.3 eu for the haptotropic rearrangement in 2, and similar values were found for 1. Possible mechanisms are discussed. According to H-1, C-13, and P-31 NMR data, the coordination number between the anthracene and the (R3P)2Ni moiety is 4. However, an equilibrium between two eta(2) structures with DELTA-G double-ended-dagger less-than-or-equal-to 4 kcal mol-1 cannot be ruled out.
• Oxidative addition of aryl sulphides to low-valent nickel species
  作者：Ernest Wenkert、Michele E. Shepard、Andrew T. McPhail

  DOI：10.1039/c39860001390

  日期：——

  Exposure of diaryl sulphides to tris(tri-n-butyl)phosphinonickel(0) is shown to lead to oxidative addition products, one of which has been characterized by n.m.r. spectral analysis and another by single-crystal X-ray analysis.

  已显示二芳基硫醚暴露于三（三正丁基）次膦酸酯基（0）会导致氧化加成产物，其中一种已通过nmr光谱分析进行了表征，另一种已通过单晶X射线分析进行了表征。