| 220135-31-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 磷环化合物
• CAS: 220135-31-9
• 化学式: C₁₉H₄₃INiP₂
• 分子量: 522.069
• InChiKey: IYHKSRCDYNJTEA-LPGALAGZSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  盐酸 、 以 氘代苯 为溶剂， 生成 (1-Me-Ind)(PPh3)Ni-Cl
  参考文献：
  名称：

  茚基镍基咪唑配合物：合成，表征和反应性。

  摘要：

  制备了配合物（1-Me-茚基）Ni（PPh 3）（邻苯二甲酰亚胺酸酯），并通过IR和1 H，13 C { 1 H}和31 P { 1 H} NMR光谱和单晶X进行了全面表征射线衍射。还已经制备了类似的4，5-二氯邻苯二甲酰亚胺，马来酰亚胺和琥珀酰胺基络合物，并进行了光谱表征。与无法制备的类似Ni-酰胺基物质相比，这些配合物具有热稳定性。反应性研究表明，Ni-imidato键在插入和亲核反应以及VT 1中相当无反应。H NMR研究表明，马来酰亚胺络合物中Ni-N键周围的旋转受ca. 11 kcal / mol。邻苯二甲酰亚胺衍生物的固态结构表明，P，N，C1和C3原子在扭曲的方平面配位环境中排列在Ni原子周围，而C2原子在主方平面上方的键距内。所述phthalimidato配体为η 1（N）配位的成Ni; Ni-N键相对较短（1.895（4）Å），且酰亚胺配体的取向应使带有原子P，Ni，N和

  DOI：

  10.1021/om980653c
• 作为产物：
  描述：

  (dtbpe)NiCl2 在 activated Mg 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, Structure, and Reactivity of (^tBu₂PC₂H₄P^tBu₂)Ni(CH₃)₂ and {(^tBu₂PC₂H₄P^tBu₂)Ni}₂(μ-H)₂

  摘要：

  Oxidative addition of CH3I to (d(t)bpe)Ni(C2H4) (d(t)bpe = (Bu2PC2H4PBu2)-Bu-t-Bu-t) affords (d(t)bpe)-Ni(I)CH3 (I). The reaction of (d(t)bpe)NiCl2 or 1 with the stoichiometric quantity of (tmeda)Mg(CH3), yields (d(t)bpe)Ni(CH3)(2) (2). (d(t)bpe)Ni(I)CD3 (1-d(3)) and (d(t)bpe)Ni(CD3)(2) (2-d(6)) have been prepared analogously. Thermolysis of 2 in benzene affords {(d(t)bpe)Ni}(2)(mu-eta(2):eta(2)-C6H6) (4). The reaction of either 2 or 4 with hydrogen (H-2, HD, D-2) gives {(d(t)bpe)Ni}(2)(mu-H)(2) (3) and the isotopomers {(d(t)bpe)Ni}(2)(mu-H)(mu-D) (3-d) and {(d(t)bpe)Ni}(2)(mu-D)(2) (3-d(2)). According to the NMR spectra, the structure of 3 is dynamic in solution. The crystal structures of 2 and 3 have been determined by X-ray crystallography, Solution thermolysis of 2 or reduction of (dtbpe)NiCl2 with Mg* in the presence of alkanes probably involves a-complex-type intermediates [(d(t)bpe)Ni(eta(2)-R'H)] (R' = e.g. C2H5, A). While the nonisolated [(d(t)bpe)Ni-0] a-complexes A are exceedingly reactive intermediates, isolated 3 and 4 represent easy to handle starting complexes for [(d(t)bpe)Ni-0] reactions. Partial protolysis of 2 with CF3SO3H affords (d(t)bpe)Ni(CH3)(OSO2CF3) (5). Complex 5 reacts slowly with 2 equiv of ethene to give equimolar amounts of [(d(t)bpe)Ni(C2H5)](+)(OSO2CF3-) (6) and propene. The reaction is thought to be initiated by an insertion of ethene into the Ni-CH3 bond of 5 to form the intermediate [(d(t)bpe)Ni(C3H7)(OSO2CF3)] (G), followed by elimination of propene to give the hydride intermediate [(d(t)bpe)Ni(H)(OSO2CF3)] (H), which on insertion of ethene into the Ni-H bond affords 6.

  DOI：

  10.1021/om980705y