[Pd2Cl4(1,2-bis[3-(3,5-dimethyl-1-pyrazolyl)-2-thiapropyl]benzene)] | 949153-23-5

• 英文名称: [Pd2Cl4(1,2-bis[3-(3,5-dimethyl-1-pyrazolyl)-2-thiapropyl]benzene)]
• CAS: 949153-23-5
• 化学式: C₂₂H₃₀Cl₄N₄Pd₂S₂
• 分子量: 769.291
• InChiKey: MJGLVYLOYCJIDL-UHFFFAOYSA-J

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：

  双(乙腈)氯化钯(II) 、 1,2-bis[3-(3,5-dimethyl-1-pyrazolyl)-2-thiapropyl]benzene 以 二氯甲烷 为溶剂， 以63%的产率得到[Pd2Cl4(1,2-bis[3-(3,5-dimethyl-1-pyrazolyl)-2-thiapropyl]benzene)]
  参考文献：
  名称：

  Preparation, NMR studies and crystal structure of mononuclear and dinuclear Pd(II) and Pt(II) complexes that contain 1,2-bis[3-(3,5-dimethyl-1-pyrazolyl)-2-thiapropyl]benzene

  摘要：

  The reaction between 1,2-bis[3-(3,5-dimethyl- I -pyrazolyl)-2-thiapropyl]benzene (bddf) and [MC12(CH3CN)2] (M = Pd(ll), Pt(ll)) in a 1: 1 M/L ratio in CH2Cl2 or acetonitrile solution, respectively, gave the complexes trans-MCI2(bddf)] (M = Pd(II) (1), Pt(il) (4)), and in a 2:1 M/L ratio led to [M2Cl4(bddf] (M = Pd(II) (2), Pt(II) (5)). Treatment of I and 4 with AgBF4 and NaBPh4, respectively, gave the compounds [Pd(bddf](BF4)2 (3) and [Pt(bddf(BPh4)2 (6). When complexes 3 and 6 were heated under reflux in a solution of Et4NBr in CH,CH2Cl2/CH3OH (1: 1) for 24 h, analogous complexes to I and 4 with bromides instead of chlorides bonded to the metallic centre were obtained. These complexes were characterised by elemental analyses, conductivity measurements, infrared, H-1, H-1{ 115pt I, C-13 H-1), Pt-195(H-1) NMR HSQC and NOESY spectroscopies. The X-ray crystal structure of the complex [Pd(bddf](BF4)2 H2O has been determined. The metal atom is tetracoordinated by the two azine nitrogen atoms of the pyrazole rings and two thioether groups. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.051