2-(2'-(methylseleno)phenyl)benzimidazole | 753417-73-1

• 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-(2'-(methylseleno)phenyl)benzimidazole
• 英文别名: 2-(2-methylselanylphenyl)-1H-benzimidazole
• CAS: 753417-73-1
• 化学式: C₁₄H₁₂N₂Se
• 分子量: 287.223
• InChiKey: XCQOBXGADITQFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 dichloro( 1,5-cyclooctadiene)platinum(ll) 、 2-(2'-(methylseleno)phenyl)benzimidazole 以 甲醇 为溶剂， 反应 3.0h， 以58%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and coordination properties of 2-(2′-(methylseleno)phenyl)benzimidazole

  摘要：

  2-(2 '-(methylseleno) phenyl) benzimidazole (1) was synthesized from 2-(methylseleno) benzaldehyde and 1,2-diaminobenzene in presence of acetic acid as a catalyst. The reaction of 1 with Pd(II) and Pt(II) afforded square planar complexes 4 and 5 with metal ligand ratio of 1:2. The structures of benzimidazole ligand 1 and complexes 4 and 5 were determined by single crystal X-ray diffraction. Crystal structures showed formation of cis isomers and the packing patterns showed formation of supramolecular structures via weak van der Waals interactions. As expected, the hard bases 2 and 3 did not react with soft acids Pd(II) and Pt(II). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.030
• 作为产物：
  描述：

  2-(methylseleno)benzaldehyde 、 邻苯二胺 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 以50%的产率得到2-(2'-(methylseleno)phenyl)benzimidazole
  参考文献：
  名称：

  Synthesis, characterization and coordination properties of 2-(2′-(methylseleno)phenyl)benzimidazole

  摘要：

  2-(2 '-(methylseleno) phenyl) benzimidazole (1) was synthesized from 2-(methylseleno) benzaldehyde and 1,2-diaminobenzene in presence of acetic acid as a catalyst. The reaction of 1 with Pd(II) and Pt(II) afforded square planar complexes 4 and 5 with metal ligand ratio of 1:2. The structures of benzimidazole ligand 1 and complexes 4 and 5 were determined by single crystal X-ray diffraction. Crystal structures showed formation of cis isomers and the packing patterns showed formation of supramolecular structures via weak van der Waals interactions. As expected, the hard bases 2 and 3 did not react with soft acids Pd(II) and Pt(II). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.11.030