(palladium)Cl2([2-[(methylthio)methyl]phenyl]diphenylphosphine) | 944456-67-1

• 英文名称: (palladium)Cl2([2-[(methylthio)methyl]phenyl]diphenylphosphine)
• CAS: 944456-67-1
• 化学式: C₂₀H₁₉Cl₂PPdS
• 分子量: 499.737
• InChiKey: WAOSZHLCZBHEHP-UHFFFAOYSA-L

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：

  二(氰基苯)二氯化钯 、 [2-[(methylthio)methyl]phenyl]diphenylphosphine 以 苯 为溶剂， 以72%的产率得到(palladium)Cl2([2-[(methylthio)methyl]phenyl]diphenylphosphine)
  参考文献：
  名称：

  钯与一些磷硫配体的配合物

  摘要：

  磷硫不对称配体 2-(2-二苯基膦乙基)-噻吩 (P-S2)、2-(3-二苯基膦丙基)噻吩 (P-S3) 和 [2-[(甲硫基)甲基]苯基]二苯基苯(P-SM) 已合成并通过 IR、1H-NMR 和 13C-NMR 光谱进行表征。P-S2、P-S3 或 P-SM 与等摩尔量的二氯双（苯甲腈）钯（II）、[Pd(PhCN)Cl2] 反应，得到配合物 [Pd(P-S2)Cl2]、[Pd( P-SM)Cl2] 和 [Pd(P-S3)(μ-Cl)Cl]2。然而，P-S2 与 [Pd(PhCN)Cl2] 以 2:1 的摩尔比反应得到络合物 [Pd(P-S2)2Cl2]。通过微量元素分析、IR、1H-NMR和13C-NMR对上述配合物进行了表征。

  DOI：

  10.1080/15533170600862432
• 作为试剂：
  描述：

  正戊醛 、 4-碘苯甲醚 在 (palladium)Cl2([2-[(methylthio)methyl]phenyl]diphenylphosphine) 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 16.0h， 以76%的产率得到4-甲氧基苯戊酮
  参考文献：
  名称：

  Palladium complexes of heterobidentate ligands: Active catalysts for direct acylation of aryl halides with aldehydes via C(sp 2 )-H activation

  摘要：

  Heterobidentate P-S donor ligands [P-S= {2-(methylthio) phenyl}diphenylphosphine (a) and {2-((methylthio) methyl) phenyl}diphenylphosphine (b)], and their palladium complexes of the type [Pd eta(2)-(P-S)Cl-2] (1a, 1b) have been synthesised and characterised. Single crystal X-ray diffraction shows that in both the complexes, Pd occupies the centre of a slightly distorted square planar geometry. 1a forms a planner ring structure, whereas, the hexagonal ring of 1b bends from planarity to adjust any ring strain. Interesting differences between the complexes were observed in terms of the intermolecular forces. The catalytic activities of the synthesised complexes towards the direct acylation of aryl halides with aldehydes via C(sp(2))-H activation were good to excellent. 1b shows better catalytic activity over la which may be attributed to the higher stability of the pentagonal ring of 1a. Aryl halides containing electron withdrawing group enhance the reaction, while electron donating substituent tend to retard the desired product formation. The difference in the bond lengths of Pd-P and Pd-S of the chelate complexes may impart hemilabile behaviour in the catalytic cycle by dissociating the weaker bond (Pd-S) to generate vacant coordination site at the metal centre and reassociate after the completion of the reaction. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2015.07.007