2-benzhydryl-6-(5-chloro-benzoimidazol-2-yl)-4-methylphenol | 1401332-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-benzhydryl-6-(5-chloro-benzoimidazol-2-yl)-4-methylphenol
• 英文别名: 2-benzhydryl-6-(6-chloro-1H-benzimidazol-2-yl)-4-methylphenol
• CAS: 1401332-58-8
• 化学式: C₂₇H₂₁ClN₂O
• 分子量: 424.93
• InChiKey: AKHFPHDDXOXAQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-benzhydryl-6-(5-chloro-benzoimidazol-2-yl)-4-methylphenol 、 zinc(II) acetate dihydrate 以 四氢呋喃 为溶剂， 反应 12.0h， 以78.4%的产率得到zinc di(6-benzhydryl-4-methyl-2-(5-chloro-benzoimidazol-2-yl)phenolate)
  参考文献：
  名称：

  6-Benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol ligands and their zinc complexes: Syntheses, characterization and photoluminescence behavior

  摘要：

  The series of 6-benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol derivatives (HL) and their zinc complexes (ZnL2) were synthesized and fully characterized. Single-crystal X-ray diffraction studies were conducted on representative complexes (C1 and C4), which revealed a distorted tetrahedral geometry at zinc. By comparison with these organic compounds (HL), the fluorescent quantum yields of the corresponding zinc complexes were increased. The fluorescence intensities of zinc complexes were affected by the solvents used, and enhanced intensities in methanol were observed compared with those observed in other solvents such as dichloromethane and toluene. The fluorescence decay mainly followed a single exponential in toluene, whereas a double exponential decay was observed in the presence of two active species in methanol and dichloromethane. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.03.057
• 作为产物：
  描述：

  2-硝基-5-氯苯胺 、 3-benzhydryl-2-hydroxy-5-methylbenzaldehyde 在 sodium dithionite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以13.5%的产率得到2-benzhydryl-6-(5-chloro-benzoimidazol-2-yl)-4-methylphenol
  参考文献：
  名称：

  6-Benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol ligands and their zinc complexes: Syntheses, characterization and photoluminescence behavior

  摘要：

  The series of 6-benzhydryl-4-methyl-2-(1H-benzoimidazol-2-yl)phenol derivatives (HL) and their zinc complexes (ZnL2) were synthesized and fully characterized. Single-crystal X-ray diffraction studies were conducted on representative complexes (C1 and C4), which revealed a distorted tetrahedral geometry at zinc. By comparison with these organic compounds (HL), the fluorescent quantum yields of the corresponding zinc complexes were increased. The fluorescence intensities of zinc complexes were affected by the solvents used, and enhanced intensities in methanol were observed compared with those observed in other solvents such as dichloromethane and toluene. The fluorescence decay mainly followed a single exponential in toluene, whereas a double exponential decay was observed in the presence of two active species in methanol and dichloromethane. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.03.057