2-(Diphenylphosphanylamino)benzonitrile

• 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: 2-(Diphenylphosphanylamino)benzonitrile
• 化学式: C₁₉H₁₅N₂P
• 分子量: 302.315
• InChiKey: YFJJNAKOJGIHKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  dichloro( 1,5-cyclooctadiene)platinum(ll) 、 2-(Diphenylphosphanylamino)benzonitrile 以 二氯甲烷 为溶剂， 反应 8.5h， 生成
  参考文献：
  名称：

  具有膦胺配体的铂（II）配合物中的分叉氢键

  摘要：

  摘要在这项工作中，我们报告了对分叉的分子内氢键对具有膦胺配体的铂（II）配合物构象的影响的研究。合成了一系列新的具有膦胺配体的顺式和反式PtCl2L2配合物，并通过1H，31P，195Pt NMR，IR进行了表征，并通过X射线晶体学测定了8种配合物的分子结构。在配体和Pt核心的NH⋯ClPt和NH⋯R（R = COOCH3，C（O）CH3，F，CN）部分之间观察到氢键。X射线衍射的结构数据与根据密度泛函理论（DFT）计算得到的构象能量和从分子中原子的量子理论获得的拓扑分析结果（QTAIM）计算相关。在具有对位取代的膦胺配体的顺式配合物中发现了最突出的NHPClPt相互作用，显示高达0.09的离域指数（DI）。对于C（O）OCH3和C（O）CH3部分，邻位取代的膦基胺配体将DI值降低至零。

  DOI：

  10.1016/j.poly.2019.06.014
• 作为产物：
  描述：

  C6H4(o-CN)NP(C6H5)2P(C6H5)2 在 邻羟基苯甲腈 作用下， 反应 24.0h， 以99%的产率得到2-(Diphenylphosphanylamino)benzonitrile
  参考文献：
  名称：

  On the Reactivity of the Iminodiphosphane C ₆ H ₄ ( o ‐CN)N=PPh ₂ −PPh ₂ : Fragmentation Versus Isomerisation

  摘要：

  AbstractThe reactivity of the iminodiphosphane C6H4(o‐CN)N=PPh2−PPh2, which contains an N=P−P unit, has been investigated. Reaction with small molecules, [viz. H2O/O2, H2O2, CH3OH, C6H4(o‐CN)NH2] and elemental sulfur result in cleavage of the P−P bond to give aminophosphane‐derivatised compounds. The products from these reactions have been characterized spectroscopically, including two by single‐crystal X‐ray diffraction. The reactivity of the iminodiphosphane towards the transition metal complexes [M(cod)Cl2] (M = Pd or Pt) has also been investigated. In the reactions, the iminodiphosphane rearranges to form the more common diphosphonylamine (P−N−P) unit which chelates to the metal centres. Three different compounds were isolated from these reactions and they have all been fully characterised by spectroscopy and single‐crystal X‐ray diffraction. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejic.200300529

文献信息

• Influence of the functional group on the synthesis of aminophosphines, diphosphinoamines and iminobiphosphines
  作者：Zhaofu Fei、Rosario Scopelliti、Paul J. Dyson

  DOI：10.1039/b303645f

  日期：——

  The reaction of the anilines RNH2 [R = C6H4(o-CN), C6H4(p-CN), C6H4(m-CN), C6H4(o-C6H5), C6F5 and C6H4(o-CF3)] with Ph2PCl and inorganic or organic bases in differing stoichiometry and in different solvents has been studied. The electronic properties and steric effects of the substituent groups, the base employed, the stoichiometry and the solvent all influence the outcome of the reaction and a series of aminophosphines, diphosphinoamines and iminobiphosphines have been isolated and characterised. The structures of three diphosphinoamines and three iminobiphosphines have been established using single-crystal X-ray diffraction.

  氨基化合物RNH2 [R = C6H4(o-CN), (p-CN), (m-CN), (o-C6H5), C6F5和 (o-CF3)]与Ph2PCl以及无机或有机碱在不同的化学计量比和不同溶剂中的反应已被研究。取代基团的电子性质和空间效应、所用的碱、化学计量比和溶剂都对反应结果产生影响，一系列氨基膦、双膦基胺和亚胺双膦化合物已被分离并表征。通过单晶X射线衍射确定了三种双膦基胺和三种亚胺双膦的结构。