| 141123-61-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 141123-61-7
• 化学式: C₂₀H₂₅Cl₂N₄O₂PPd
• 分子量: 561.744
• InChiKey: UEGFKFHWQFHIIX-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：

  在 methanol 作用下， 以 甲醇 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Stable platinum(II) complexed α-aminoethers derived from benzimidazole and benzoxazole

  摘要：

  A series of Schiff base compounds derived from 2-aminobenzimidazole and 2-aminobenzoxazole react with Zeise's salt in CH2Cl2/ROH (R = CH3, CH2CH3, CH(CH3)2, CH2CH2OCH3) to form a series of relatively stable alpha-aminoether complexes with coordination to Pt(II) via the heterocyclic sp2 nitrogen. The complexes, trans-PtCl2(C2H4){2-N-(CH(OR)C6II4R1)benzimidazole} (4) (R1 - 3-NO2, R = CH3, CH2CH3, CH(CH3)2; R1 = 4-Cl, R = CH3) and trans-PtCl2(C2H4){2-N-(CH(OR)C6H4R1)benzoxazole} (5) (R1 = 3-NO2, R = CH3, CH2CH3, CH2CH2OCH3; R1 = 4-Cl, 4-OCH3, 4-H, R = CH3) arise through initial coordination of the heterocyclic sp2 nitrogen followed by attack of ROH on the pendant 2-N-benzylidene moiety at the Schiff base carbon. It is suggested that withdrawal of electron density through complexation facilitates alcohol attack. In the absence of complexation the reaction can be 20-30 times slower, A Pd(II) phosphine complex can achieve the same result. H-1 NMR spectroscopy, and specifically the chemical shift of the 'CH-N' moiety, provides an indication of the polarization due to complexation. The structure of one complex, 5c, R1 - 3-NO2, R - CH2CH2OCH3, was determined by X-ray diffraction. A prismatic crystal belonging to the space group P1BAR with the following characteristics; a - 10.024(3), b = 11.242(9), c = 13.158(3) angstrom, alpha = 96.07(3), beta = 107.01(2), gamma = 109.52(3)-degrees, V = 1302 angstrom 3, Z = 2, was used to determine the structure, which was refined to R = 0.044.

  DOI：

  10.1016/s0020-1693(00)80240-6
• 作为产物：
  描述：

  N-(3-nitrobenzylidene)-1H-benzo[d]imidazol-2-amine 、 Kharash's compound 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Stable platinum(II) complexed α-aminoethers derived from benzimidazole and benzoxazole

  摘要：

  A series of Schiff base compounds derived from 2-aminobenzimidazole and 2-aminobenzoxazole react with Zeise's salt in CH2Cl2/ROH (R = CH3, CH2CH3, CH(CH3)2, CH2CH2OCH3) to form a series of relatively stable alpha-aminoether complexes with coordination to Pt(II) via the heterocyclic sp2 nitrogen. The complexes, trans-PtCl2(C2H4){2-N-(CH(OR)C6II4R1)benzimidazole} (4) (R1 - 3-NO2, R = CH3, CH2CH3, CH(CH3)2; R1 = 4-Cl, R = CH3) and trans-PtCl2(C2H4){2-N-(CH(OR)C6H4R1)benzoxazole} (5) (R1 = 3-NO2, R = CH3, CH2CH3, CH2CH2OCH3; R1 = 4-Cl, 4-OCH3, 4-H, R = CH3) arise through initial coordination of the heterocyclic sp2 nitrogen followed by attack of ROH on the pendant 2-N-benzylidene moiety at the Schiff base carbon. It is suggested that withdrawal of electron density through complexation facilitates alcohol attack. In the absence of complexation the reaction can be 20-30 times slower, A Pd(II) phosphine complex can achieve the same result. H-1 NMR spectroscopy, and specifically the chemical shift of the 'CH-N' moiety, provides an indication of the polarization due to complexation. The structure of one complex, 5c, R1 - 3-NO2, R - CH2CH2OCH3, was determined by X-ray diffraction. A prismatic crystal belonging to the space group P1BAR with the following characteristics; a - 10.024(3), b = 11.242(9), c = 13.158(3) angstrom, alpha = 96.07(3), beta = 107.01(2), gamma = 109.52(3)-degrees, V = 1302 angstrom 3, Z = 2, was used to determine the structure, which was refined to R = 0.044.

  DOI：

  10.1016/s0020-1693(00)80240-6