[Pd(κ(2)-C6H3MeN2C6H4CH3-C,N')(κ(2)-Ph2PCH2P(=NC6H4NO2-3)Ph2-P,N)]OSO2CF3 | 214597-87-2

• 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: [Pd(κ(2)-C6H3MeN2C6H4CH3-C,N')(κ(2)-Ph2PCH2P(=NC6H4NO2-3)Ph2-P,N)]OSO2CF3
• CAS: 214597-87-2
• 化学式: CF₃O₃S*C₄₅H₃₉N₄O₂P₂Pd
• 分子量: 985.268
• InChiKey: GWVIWWBOMJXXOB-PHWSNXGDSA-M

计算性质

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

• 作为产物：
  描述：

  [Pd(2-(4'-tolylazo)-5-methylphenyl)(κ(1)-bis(diphenlphosphino)methane)(κ(2)-bis(diphenylphosphino)methane)]OSO2CF3 、 3-硝基苯基叠氮化物 以 四氢呋喃 为溶剂， 以30%的产率得到[Pd(κ(2)-C6H3MeN2C6H4CH3-C,N')(κ(2)-Ph2PCH2P(=NC6H4NO2-3)Ph2-P,N)]OSO2CF3
  参考文献：
  名称：

  Palladium(II) Complexes of Monoaryliminophosphorane Derivatives of 1,2-Bis(Diphenylphosphino)methane. Crystal Structure of [Pd{κ²-C₆H₃(NN−C₆H₄Me-4‘)-2- (C₆H₄Me-4‘‘)-5-C,N‘}{κ²-PPh₂CH₂P(NC₆H₄Me-4)Ph₂-P,N}]

  摘要：

  The complex [Pd(azoMe)(kappa(1)-dppm)(kappa(2)-dppm)]TfO (azoMe = 2-(4'-tolylazo)-5-methylphenyl, dppm = bis(diphenylphosphino)methane, TfO = CF3SO3) reacts at room temperature with aryl azides N3Ar to give, in moderate to high yields, iminophosphorane complexes [Pd(kappa(2-)azoMe-C,N'){kappa(2)-PPh2CH2P(=NAr)Ph-2-P,N}]TfO [Ar = C6H4R, R = H (1), MeO-2 (2a), Me-2 (2b), NO2-2 (2c), MeO-3 (3a), NO2-3 (3c), MeO-4 (4a), Me-4 (4b), NO2-4 (4c)]. In all cases, there is a linear correlation between delta(P) (ppm) of both phosphorus atoms and temperature T (degrees C) [delta(P-1) = delta(1)(0) + a(1)T; delta(P-2) = delta(2)(0) + a(2)T]. In the ortho-substituted complexes 2a-c and the nitro derivatives 3c and 4c, crossing of the two delta/T plots of each complex is not observed and the change in chemical shift with temperature is small or nil, /a(1)/, /a(2)/ = (0-12) x 10(-3) ppm/degrees C. In the other complexes, the gradient of one of the straight; lines is positive (a(1) approximate to 26 x 10(-3) ppm/degrees C) and that of the other is negative (a(2) approximate to -7.5 x 10(-3) ppm/degrees C). Both lines cross in the range 0-25 degrees C. 4b reacts with [Au(acac)PPh3] (1:2) to give [Pd(azoMe-C,N'){PPh2C(AuPPh3)(2)P(=NAr)Ph-2-P,N}] [Ar = Me-4 (5b)]. [Pd(azoMe-C,N')(kappa(2)-dppm)]TfO reacts with NaN3 to give [Pd-2(azoMe)2(C)(mu(2)-N-3)(mu(2)-dppm)(2)]TfO (6). The crystal structure of 4b is reported.

  DOI：

  10.1021/om980445k