[Au(NC5H4(CH2C6H4)-2)Cl(PPh3)][BF4] | 171509-53-8

• 英文名称: [Au(NC5H4(CH2C6H4)-2)Cl(PPh3)][BF4]
• CAS: 171509-53-8
• 化学式: BF₄*C₃₀H₂₅AuClNP
• 分子量: 749.733
• InChiKey: AKLZEDOMHGNMPZ-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：
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反应信息

• 作为产物：
  描述：

  [gold(III)Cl3(2-benzylpyridine)] 在 AgBF₄ 作用下， 以 丙酮 、 乙腈 为溶剂， 生成 [Au(NC5H4(CH2C6H4)-2)Cl(PPh3)][BF4]
  参考文献：
  名称：

  Synthesis, structure and reactivity of a new six-membered cycloaurated complex of 2-benzoylpyridine [AuCl2(pcp-C  1,N )] [pcp = 2-(2-pyridylcarbonyl)phenyl]. Comparison with the cycloaurated complex derived from 2-benzylpyridine

  摘要：

  通过加合物 [AuCl3(Hpcp)]（Hpcp = 2-苯甲酰基吡啶）与 AgO2CCF3 的反应，制备了六元环状复合物 [AuCl2(pcp-C1,N)] [pcp = 2-(2-吡啶基羰基)苯基]，并通过 X 射线衍射测定了其结构。六元 pcp-Au 环的舟状构象与 [AuCl(pmp-C1,N)(PPh3)]BF4 [pmp = 2-(2-吡啶甲基)苯基] 中 pmp-Au 环的舟状构象进行了比较，后者的结构也已通过 X 射线衍射确定。复合物 [AuCl2(pcp-C1,N)]以 1∶1 的摩尔比与 PPh3 反应，生成中性复合物 [AuCl2(pcp)(PPh3)]。在 NaBF4 和过量 AgBF4 的存在下，通过与 PPh3 的反应，[AuCl2(pcp)(PPh3)]进一步转化为反式[AuCl(pcp)(PPh3)2]BF4 和[Au(pcp-C1,N)2]BF4。这种对三苯基膦的反应性与已知环aurated 复合物 [AuCl2(pmp-C1,N)]的反应性进行了比较。通过对 [AuCl(pmp-C1,N)(PPh3)]BF4中亚甲基质子的线形分析，观察到了可归因于六元 pmp-Au 环反转的随温度变化的 1H NMR 光谱，并测量了反转的速率。

  DOI：

  10.1039/a706354g

文献信息

• Synthesis and characterization of gold(III) adducts and cyclometallated derivatives with 2-substituted pyridines. Crystal structure of [Au{NC5H4(CMe2C6H4)-2}Cl2]
  作者：Maria Agostina Cinellu、Antonio Zucca、Sergio Stoccoro、Giovanni Minghetti、Mario Manassero、Mirella Sansoni

  DOI：10.1039/dt9950002865

  日期：——

  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 [AuNC5H4(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.