[PdCl(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)](BF4) | 678140-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [PdCl(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)](BF4)
• 英文别名: chloropalladium(1+);1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethyl]-3,5-dimethylpyrazole;tetrafluoroborate
• CAS: 678140-38-0
• 化学式: BF₄*C₁₄H₂₂ClN₄PdS
• 分子量: 507.099
• InChiKey: DWTCZWHBVUUEAR-UHFFFAOYSA-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：
  None

反应信息

• 作为反应物：
  描述：

  三苯基膦 、 [PdCl(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)](BF4) 以 甲醇 、 二氯甲烷 为溶剂， 生成 bis-triphenylphosphine-palladium(II) chloride
  参考文献：
  名称：

  Reactivity of [PdCl(bdtp)](BF4) with monodentate neutral and anionic ligands. Structure of [Pd(bdtp)(PPh3)](BF4)2 (bdtp=1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)

  摘要：

  Complex [PdCl(bdtp)](BF4), in presence of AgBF4 or NaBF4, reacts with pyridine (py), triphenylphosphine (PPh3), cyanide (CN ), thiocyanate (SCN ) or azide (N-3 ) ligands, leading to the formation of the following complexes: [Pd(bdtp)(py)](BF4)(2) [1](BF4)(2) , [Pd(bdtp)(PPh3)](BF4)(2) [2](BF4)(2), [Pd(CN)(bdtp)](BF4) [3](BF4), [Pd(SCN)( bdtp)](BF4) [4](BF4) and [Pd(N-3)(bdtp)](BF4) [5](BF4). These complexes were characterised by elemental analyses, mass spectrometry, conductivity measurements, infrared and NMR spectroscopies. The crystal structure of [2](BF4)(2) was determined by single-crystal X-ray diffraction methods. The metal atom is coordinated by two azine nitrogen atoms, and one sulfur atom of the thioether-pyrazole ligand and one triphenylphosphine in a distorted square-planar geometry. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.04.045
• 作为产物：
  描述：

  [PdCl2(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane] 、 silver tetrafluoroborate 以 甲醇 、 二氯甲烷 为溶剂， 以89%的产率得到[PdCl(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)](BF4)
  参考文献：
  名称：

  Synthesis of New Pd ^II Complexes Containing a Thioether‐Pyrazole Hemilabile Ligand − Structural Analysis by ¹ H, ¹³ C NMR Spectroscopy and Crystal Structure of [PdCl(bdtp)]BF ₄ [bdtp = 1,5‐Bis(3,5‐dimethyl‐1‐pyrazolyl)‐3‐thiapentane]

  摘要：

  AbstractTreatment of the ligand 1,5‐bis(3,5‐dimethyl‐1‐pyrazolyl)‐3‐thiapentane (bdtp) with [PdCl2(CH3CN)2] led to a [PdCl2(bdtp)] complex. Subsequent treatment of this complex with AgBF4 gave [PdCl(bdtp)](BF4). These PdII complexes were characterised by elemental analysis, conductivity measurements, IR spectroscopy, and 1H and 13C NMR spectroscopy. Complex [PdCl2(bdtp)] was again obtained when the complex [PdCl(bdtp)](BF4) was heated under reflux in a solution of NEt4Cl in CH2Cl2/MeOH (1:1). Ligand bdtp in complexes 1 and 2 exhibited a hemilabile character. The X‐ray structure of the complex [PdCl(bdtp)](BF4) was determined. The metal atom is tricoordinated by the two azine nitrogen atoms and one thioether sulfur atom of the thioether‐pyrazole ligand, its coordination (distorted square planar) being completed with one chloride ion. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300235