5,11-diphenyl-6H,12H-dibenzimidazo[1,2-a;1',2'-d]pyrazine | 1233945-59-9

• 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: 5,11-diphenyl-6H,12H-dibenzimidazo[1,2-a;1',2'-d]pyrazine
• 英文别名: 2,12-Diphenyl-3,10,13,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,11,14,16,18-octaene；2,12-diphenyl-3,10,13,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,11,14,16,18-octaene
• CAS: 1233945-59-9
• 化学式: C₂₈H₂₀N₄
• 分子量: 412.494
• InChiKey: LHEXYYILDDZXQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5,11-diphenyl-6H,12H-dibenzimidazo[1,2-a;1',2'-d]pyrazine 反应 0.5h， 生成 6,13-Diphenyl-6H,13H-pyrazino<1,2-a:4,5-a'>bisbenzimidazol
  参考文献：
  名称：

  Gas-phase pyrolysis of benzimidazole derivatives: novel route to condensed heterocycles

  摘要：

  Gas-phase pyrolysis of N-(1H-benzimidazol-2-yl)-N'-arylidenehydrazines 1a-e gave the corresponding arylnitriles 2a-e, 2-aminobenzimidazole 3, 2,4,5-triphenylimidazole 4, 1,3-diphenyl-8H-2,3a,8-triazacyclopenta[a]indene 5, and 5,11-diphenyl-6H,12H-dibenzimidazo[1,2-a]; 1',2'-d]pyrazine 6. The kinetics and analysis of the products of reaction are reported and used to elucidate the mechanism of the elimination process. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2010.03.061
• 作为产物：
  描述：

  N-(1H-benzimidazol-2-yl)-N'-benzylidenehydrazine 280.0 ℃ 、6.0 Pa 条件下， 反应 0.25h， 以15%的产率得到苯甲腈
  参考文献：
  名称：

  Gas-phase pyrolysis of benzimidazole derivatives: novel route to condensed heterocycles

  摘要：

  Gas-phase pyrolysis of N-(1H-benzimidazol-2-yl)-N'-arylidenehydrazines 1a-e gave the corresponding arylnitriles 2a-e, 2-aminobenzimidazole 3, 2,4,5-triphenylimidazole 4, 1,3-diphenyl-8H-2,3a,8-triazacyclopenta[a]indene 5, and 5,11-diphenyl-6H,12H-dibenzimidazo[1,2-a]; 1',2'-d]pyrazine 6. The kinetics and analysis of the products of reaction are reported and used to elucidate the mechanism of the elimination process. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2010.03.061