(2-(o-oxyphenyl)benzoxazole)2Pd | 64586-36-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: (2-(o-oxyphenyl)benzoxazole)2Pd
• 英文别名: 2-(1,3-benzoxazol-2-yl)phenolate;palladium(2+)
• CAS: 64586-36-3
• 化学式: C₂₆H₁₆N₂O₄Pd
• 分子量: 526.844
• InChiKey: YXCBVQNMVVWORO-UHFFFAOYSA-L

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-(2-羟苯基)苯并恶唑 、 palladium diacetate 以 甲醇 、 二氯甲烷 为溶剂， 反应 24.0h， 以87%的产率得到(2-(o-oxyphenyl)benzoxazole)2Pd
  参考文献：
  名称：

  Reactivity of 2-(2-hydroxyphenyl)benzoxazole and 2-(2-hydroxyphenyl)benzothiazole towards group 10 transition metals. Evaluation in palladium catalyzed Suzuki–Miyaura C–C couplings

  摘要：

  A series of group 10 transition metal complexes based on 2-(2-hydroxyphenyl) benzoxazole (HPBO) and 2-(2-hydroxyphenyl) benzothiazole (HPBT) have been prepared. Reactions of nickel or palladium acetates with HPBT and HPBO produce chelate N-O coordinated compounds respectively. Whilst reaction of [k(2)PtCl(4)] with HPBT affords organometallic species product of a C-H bond activation of the phenolic moiety at room temperature. The molecular structures of the three complexes were unambiguously determined by means of single crystal X-ray diffraction analyses. The nickel compound [{Ni(k(2)-N,O-HPBT)} 2(mu(2)-O-HPBT)(2)(mu(2)-OOCCH3)] (1) showing to be binuclear with the nickel ions found in six-coordinated distorted octahedral environments. Conversely, compound [Pd(k(2)-N, O-HPBO)(2)] (2) is a tetracoordinated monomer with the Pd center having a slightly distorted square planar geometry. Similarly, platinacycle [Pt(k(1)-N-HPBT)(k(2)-N, C-HPBT)Cl] (3) shows the Pt center into a slightly distorted square planar geometry, exhibiting ligand HPBT in two different coordination modes, as single k(1)-N coordinated and as k(2)-N-C metalated chelate bidentate ligand, completing the coordination sphere with a chloride ligand. The catalytic activity of the palladium complex (2) was evaluated in Suzuki-Miyaura cross couplings, showing good activity. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.012
• 作为试剂：
  描述：

  4-溴苯胺 、 苯硼酸 在 (2-(o-oxyphenyl)benzoxazole)2Pd 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-氨基联苯
  参考文献：
  名称：

  Reactivity of 2-(2-hydroxyphenyl)benzoxazole and 2-(2-hydroxyphenyl)benzothiazole towards group 10 transition metals. Evaluation in palladium catalyzed Suzuki–Miyaura C–C couplings

  摘要：

  A series of group 10 transition metal complexes based on 2-(2-hydroxyphenyl) benzoxazole (HPBO) and 2-(2-hydroxyphenyl) benzothiazole (HPBT) have been prepared. Reactions of nickel or palladium acetates with HPBT and HPBO produce chelate N-O coordinated compounds respectively. Whilst reaction of [k(2)PtCl(4)] with HPBT affords organometallic species product of a C-H bond activation of the phenolic moiety at room temperature. The molecular structures of the three complexes were unambiguously determined by means of single crystal X-ray diffraction analyses. The nickel compound [{Ni(k(2)-N,O-HPBT)} 2(mu(2)-O-HPBT)(2)(mu(2)-OOCCH3)] (1) showing to be binuclear with the nickel ions found in six-coordinated distorted octahedral environments. Conversely, compound [Pd(k(2)-N, O-HPBO)(2)] (2) is a tetracoordinated monomer with the Pd center having a slightly distorted square planar geometry. Similarly, platinacycle [Pt(k(1)-N-HPBT)(k(2)-N, C-HPBT)Cl] (3) shows the Pt center into a slightly distorted square planar geometry, exhibiting ligand HPBT in two different coordination modes, as single k(1)-N coordinated and as k(2)-N-C metalated chelate bidentate ligand, completing the coordination sphere with a chloride ligand. The catalytic activity of the palladium complex (2) was evaluated in Suzuki-Miyaura cross couplings, showing good activity. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.03.012