2-(2,2-dimethylpropyl)pyridin-1-ium;trichlorogold;chloride | 171509-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(2,2-dimethylpropyl)pyridin-1-ium;trichlorogold;chloride
• CAS: 171509-74-3
• 化学式: AuCl₄*C₁₀H₁₆N
• 分子量: 489.022
• InChiKey: XZQOJRZYODOUJQ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  1.16
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  14.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  gold(III) chloride trihydrate 、 2-(2,2-dimethylpropyl)pyridine 以 水 为溶剂， 以45%的产率得到2-(2,2-dimethylpropyl)pyridin-1-ium;trichlorogold;chloride
  参考文献：
  名称：

  Synthesis and characterization of gold(III) adducts and cyclometallated derivatives with 2-substituted pyridines. Crystal structure of [Au{NC5H4(CMe2C6H4)-2}Cl2]

  摘要：

  The 2-benzylpyridines HL [NC5H4-(CH(2)Ph)-2, -(CHMePh)-2 and (CMe(2)Ph)-2] reacted with AuCl3 . 2H(2)O or Na[AuCl4] to give adducts [Au(HL)Cl-3] or cyclometallated derivatives [AULCl(2)]. The metallation reaction involves direct activation of a C-H bond of the phenyl substituent. With the 2-alkylpyridines NC5H4(CMe(3))-2 and NC5H4(CH(2)CMe(3))-2 (HL) on ly the tetrachloroaurate (III) salts [H(2)L][AuCl4] were isolated. The structure of [Au{NC5H4(CMe(2)C(6)H(4))-2}Cl-2] has been determined by X-ray diffraction. It reveals a six-membered ring having a boat-like conformation: there is a rather short interaction between one hydrogen of the Me group in axial position and the gold atom. AU ... H 2.56(5) Angstrom. The cyclometallated species react with PPh(3) to give cationic complexes [AUL(PPh(3))Cl](+) and with 1,2-bis(diphenylphosphino)ethane (dppe) to yield [AuL(dppe)Cl](+). Under pressure (50 atm, 60 degrees C) of CO extrusion of the metal occurs. The organic products formed likely arise from insertion of CO into the Au-C bond. The reactivity of the cycloaurated species, is compared with that of analogous palladium(II) derivatives described previously.

  DOI：

  10.1039/dt9950002865