[PdCl2(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)] | 678140-36-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [PdCl2(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)]
• 英文别名: dichloropalladium;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethyl]-3,5-dimethylpyrazole
• CAS: 678140-36-8；678140-39-1
• 化学式: C₁₄H₂₂Cl₂N₄PdS
• 分子量: 455.747
• InChiKey: XAEJCKJFXLXJBA-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  2,2'-联吡啶 、 [PdCl2(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)] 在 AgBF₄ or NaBF₄ 作用下， 以 not given 为溶剂， 生成 (2,2-联吡啶)二氯钯(II)
  参考文献：
  名称：

  de Leon, Antonio; Pons, Josefina; Garcia-Anton, Jordi, Polyhedron, 2010, vol. 29, p. 2318 - 2323

  摘要：

  DOI：
• 作为产物：
  描述：

  [PdCl(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)](BF4) 在 tetraethylammonium chloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 [PdCl₂(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane] 、 [PdCl2(1,5-bis(3,5-dimethyl-1-pyrazolyl)-3-thiapentane)]
  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