| 1430117-09-1

• CAS: 1430117-09-1
• 化学式: C₃₈H₃₀Cl₂N₄PRh
• 分子量: 747.468
• InChiKey: YPDPWDKFHATHPT-VBJZDLSPSA-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

• 作为产物：
  描述：

  1-benzyl-2-(naphthyl-α-azo)-imidazole 、 rhodium(III) chloride trihydrate 、 三苯基膦 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  The C–H activation of pendant naphthyl group of 1-alkyl-2-(naphthyl-α-azo)imidazole by rhodium(III). Spectral, structural characterization and, DFT computation

  摘要：

  The reaction of RhCl3 with 1-alkyl-2-(naphthyl-alpha-azo)imidazole (alpha-NaiR, N, N'chelator) (R = CH3, CH2 -CH3, CH2-Ph) has synthesized a coordination compound, [Rh(alpha-NaiR-N, N')(PPh3)Cl-3] (2) from boiling methanol in the presence of PPh3 while the reaction under similar condition in the presence of Et3N has synthesized cyclometallated complex, [Rh(alpha-NaiR-N, N', C)(PPh3)Cl-2] (3). The structures of both types of complexes are confirmed by single crystal X-ray diffraction study in representative cases. All the complexes have been characterized by spectral data (FT-IR, UV-VIS, MS, H-1-NMR) and elemental analyses. Density functional theory calculation has also been performed to rationalize the electronic structures and their spectral properties. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.02.013