2-(pyren-1-yl)-1-n-butylbenzimidazole | 1192255-49-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-(pyren-1-yl)-1-n-butylbenzimidazole
• 英文别名: 1-Butyl-2-pyren-1-ylbenzimidazole
• CAS: 1192255-49-4
• 化学式: C₂₇H₂₂N₂
• 分子量: 374.485
• InChiKey: OIOHEKDWWATWQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-芘甲醛 在 四丙基碘化铵 、 sodium hydroxide 作用下， 以 硝基苯 、 3-戊酮 为溶剂， 反应 30.0h， 生成 2-(pyren-1-yl)-1-n-butylbenzimidazole
  参考文献：
  名称：

  Enhanced photooxidation sensitizers: the first examples of cyclometalated pyrene complexes of iridium(iii)

  摘要：

  烷基化芘-苯并咪唑配体的铱(III)环金属化反应以前所未有的方式进行。以 1,5-二羟基萘为底物，生成的配合物显示出显著增强的光氧化能力。

  DOI：

  10.1039/c2cc35907c

文献信息

• Synthesis and optical behaviors of 2-(9-phenanthrenyl)-, 2-(9-anthryl)-, and 2-(1-pyrenyl)-1-alkylimidazole homologues
  作者：Yun-Nan Yan、Dan-Yan Lin、Wen-Long Pan、Xiu-Ling Li、Yi-Qian Wan、Yu-Liang Mai、Hua-Can Song

  DOI：10.1016/j.saa.2009.06.020

  日期：2009.9

  Eight 2-(9-phenanthrenyl)-, 2-(9-anthryl)- and 2-(I-pyrenyl)-1-alkyl-benzimidazole compounds, three 2-(9-anthryl)-1-alkylphenanthroimidazole compounds and five 4,5-diphenyl-1-alkyl-2-(9-anthryl)imidazole compounds were synthesized by alkylation reactions of the corresponding benzimidazole, phenanthroimidazole or imidazole compounds. 2-(10-Bromo-9-anthryl)-1-alkyl-benzimidazole compounds were prepared by bromination reaction of 2-(9-anthryl)-1-alkylbenzimidazole compounds. All the synthesized compounds were characterized by elemental analysis, H-1 NMR, C-13 NMR, MS or HRMS; their absorption coefficients (epsilon), maximum absorption lambda(amax). fluorescence emission maximum lambda(em), Stokes shifts and fluorescence quantum yields (Phi(F)) in ethyl acetate were determined; their fluorescent lifetimes (T-1 and T-2) were measured in ethyl acetate and in solid state, respectively. The crystal structure of 2-(9-anthryl)-1-n-butyl-4,5-diphenylimidazole (12a) was determined to be triclinic, space group P-1 types, using single crystal X-ray crystallography technique. The results showed that these compounds exhibited moderate fluorescence-emission abilities and higher solubility in most organic solvents than their corresponding starting materials. The relationships between the optical behaviors and structures for these compounds were discussed. (C) 2009 Published by Elsevier B.V.