PdCl2[1,6-bis(3,5-dimethyl-1-pyrazolyl)-2,5-dithiaoctane] | 503175-09-5

• 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[1,6-bis(3,5-dimethyl-1-pyrazolyl)-2,5-dithiaoctane]
• 英文别名: trans-[PdCl2(1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane)]；dichloropalladium;1-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethylsulfanyl]ethyl]-3,5-dimethylpyrazole
• CAS: 503175-09-5
• 化学式: C₁₆H₂₆Cl₂N₄PdS₂
• 分子量: 515.867
• InChiKey: GKKLNTZFPJZVOM-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：

  氟硼酸钠 、 PdCl2[1,6-bis(3,5-dimethyl-1-pyrazolyl)-2,5-dithiaoctane] 、 sodium thiocyanide 以 甲醇 、 二氯甲烷 为溶剂， 以78%的产率得到trans-[Pd(SCN)2(1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane)]
  参考文献：
  名称：

  Preparation and characterisation of mononuclear Pd(II) complexes with 1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane (bddo) ligand: Spectroscopy studies and crystal structure of trans-[Pd(SCN)2(bddo)]

  摘要：

  Mononuclear palladium(II) complexes containing a pyrazole-thioether ligand, with general formula tralls-[Pd(X)(2)(bddo)] (X = CN- (1), SCN- (2) or N-3(-) (3); bddo = 1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane), have been prepared. Similar reactivity carried out with pyridine or triphenylphosphine has been assayed. When pyridine is used, a mixture of [Pd(bddo)(py)(2)](BF4)(2) ([4](BF4)(2)) and [Pd(bddo)](BF4)(2) is obtained. When triphenylphosphine is used, only [Pd(bddo)](BF4)(2) is obtained. The complexes have been characterised by elemental analyses. conductivity measurements, IR and NMR spectroscopies. X-ray crystal structure of trans-[Pd(SCN)(2)(bddo)] (2) is presented. In this complex the metal atom is coordinated by the two azine nitrogen atoms of the pyrazole rings and two SCN anions in trans disposition. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.04.013
• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1,6-bis-(3,5-dimethyl-1-pyrazolyl)-2,5-dithiaoctane 以 二氯甲烷 为溶剂， 以96%的产率得到PdCl2[1,6-bis(3,5-dimethyl-1-pyrazolyl)-2,5-dithiaoctane]
  参考文献：
  名称：

  Synthesis of New PdII Complexes Containing Thioether−Pyrazole Hemilabile Ligands − Structural Analysis by 1H and 13C NMR Spectroscopy and Crystal Structures of [PdCl2(bddo)] and [Pd(bddo)](BF4)2 [bddo = 1,8-Bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane]

  摘要：

  DOI：

  10.1002/1099-0682(200212)2002:12<3319::aid-ejic3319>3.0.co;2-l