1-(phenylazo)isoquinoline | 590361-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(phenylazo)isoquinoline
• 英文别名: Isoquinolin-1-yl(phenyl)diazene
• CAS: 590361-50-5
• 化学式: C₁₅H₁₁N₃
• 分子量: 233.272
• InChiKey: CAQNFHKARSCOCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  水合三氯化钌 、 1-(phenylazo)isoquinoline 以 乙醇 为溶剂， 生成 trans-cis-cis-dichlorobis(1-(phenylazo)isoquinoline)ruthenium(II) 、 cis-cis-cis-dichlorobis(1-(phenylazo)isoquinoline)ruthenium(II)
  参考文献：
  名称：

  Synthesis and X-ray characterization of two isomeric dichloro bis-{1-(phenylazo)isoquinoline} complexes of ruthenium(II)

  摘要：

  The azoimine functionalized ligand, 1-(phenylazo)isoquinoline (paiq) was synthesized and reacted with RuCl3 in dry ethanol under nitrogen atmosphere to produce two isomeric dichloro bis-[1-(phenylazo)isoquinoline] ruthenium(II) complexes. They are green isomer (a) and blue isomer (b). In the X-ray crystal structure determination, the final reliability indices for isomers (a) and (b) are 0.0308 and 0.0448, respectively. Solvents for crystallization are found in both crystal structures. Of the five possible geometrical isomeric configurations of RuL2Cl2, L = 1-(phenylazo)isoquinoline, in order of the coordinating pairs: (Cl, Cl); (N,N); (N,N') where N represents N(isoquinoline), N' represents N(azo), the two isomers isolated are trans -cis -cis (tcc, a) and cis- -cis -cis (ccc, b). Both the green isomer (a) and the blue isomer (b) have six coordination. The coordination geometry of ruthenium(II) for the former (a) compound is distortedly octahedral with the surrounding four nitrogen atoms equatorial and two chlorine atoms axial. That for the latter isomer (b) is also a distorted octahedron with C12, N1, N3 and N6 atoms basal, and C11 and N4 atoms apical. The Ru-Cl distances for the green tcc-isomer (a) are shorter than those for the blue ccc-isomer (b). The Ru-N bond lengths in both isomer split into two categories. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01436-5