[Pd(C(CH2)N(Xy)C(S)NHMe)(1,3-bis(diphenylphosphino)propane)][BF4] | 616880-41-2

• 英文名称: [Pd(C(CH2)N(Xy)C(S)NHMe)(1,3-bis(diphenylphosphino)propane)][BF4]
• CAS: 616880-41-2
• 化学式: BF₄*C₃₉H₄₁N₂P₂PdS
• 分子量: 825.006
• InChiKey: MMLLLBOXIFXEGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  异硫氰酸甲酯 、 Pd(C(Me)=NXy)(Cl)(1,2-bis(diphenylphosphino)ethane) 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以69%的产率得到[Pd(C(CH2)N(Xy)C(S)NHMe)(1,3-bis(diphenylphosphino)propane)][BF4]
  参考文献：
  名称：

  Studies on the Reactivity of Isocyanates and Isothiocyanates with Palladium−Imidoyl Complexes

  摘要：

  The reactions of palladium-iminoacyl complexes with isocyanates (RNCO) and isothiocyanates (RNCS) have been investigated. The reaction of Pd{C(Me)=NXy}(Cl)(P-P) (P-P = dppe, 1; dppp, 2) with RNCE (E = O, S) in the presence of AgBF4 yields the novel compounds [Pd{C(=CH2)N(Xy)C(=E)NHR}(dppe)][BF4] (E = O and R = Et, 3; Ph, 4; E = S and R = Me, 5; Ph, 6); the formation of these complexes results from an addition reaction followed by the migration of a proton from the methyl group in the imidoyl fragment to the nitrogen in the RNCE moiety. In contrast, the reaction between Pd{C(Ph)=NXy}(I)(dppe) and RNCO in the presence of AgBF4 yields the addition product [Pd{C(Ph)=N(Xy)C(=O)(= NPh)}(dppe)]-[BF4] (10). Protonation of the imidoyl group in Pd{C(Me)=NXy}(Cl)(dppe) suppresses the addition reaction when the protonated complex is reacted with RNCS; the products obtained in this case are [Pd{C(Me)=NHXy}(dppe)(S=C=NR)] [BF4](2) (R = Me, 15; Ph, 16).

  DOI：

  10.1021/om030493r