2-azulen-1-yl-1,3-bis(trifluoromethylsulfonyl)-2H-benzimidazole | 929021-09-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2-azulen-1-yl-1,3-bis(trifluoromethylsulfonyl)-2H-benzimidazole
• CAS: 929021-09-0
• 化学式: C₁₉H₁₂F₆N₂O₄S₂
• 分子量: 510.438
• InChiKey: JJOZHWGWZOWJPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  91.5
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  2-azulen-1-yl-1,3-bis(trifluoromethylsulfonyl)-2H-benzimidazole 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以89%的产率得到薁-1-甲醛
  参考文献：
  名称：

  Synthesis of heteroarylazulenes: transition metal free coupling strategy of azulene with heterocycles

  摘要：

  Azulene reacts with highly electrophilic trifluoromethanesulfonates of N-containing heterocycles to give 1-dihydroheteroaryl and 1,3.-bis(dihydroheteroaryl)azulene derivatives in a good yield. Treatment of the dihydroheteroarylazulene derivatives with KOH or tert-BuOK afforded 1-heteroaryl and 1,3-bis(heteroaryl)azulenes in a good yield. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.083
• 作为产物：
  描述：

  苯并咪唑 、 三氟甲磺酸酐 、 奥苷菊环 以 二氯甲烷 为溶剂， 以84%的产率得到2-azulen-1-yl-1,3-bis(trifluoromethylsulfonyl)-2H-benzimidazole
  参考文献：
  名称：

  Synthesis of heteroarylazulenes: transition metal free coupling strategy of azulene with heterocycles

  摘要：

  Azulene reacts with highly electrophilic trifluoromethanesulfonates of N-containing heterocycles to give 1-dihydroheteroaryl and 1,3.-bis(dihydroheteroaryl)azulene derivatives in a good yield. Treatment of the dihydroheteroarylazulene derivatives with KOH or tert-BuOK afforded 1-heteroaryl and 1,3-bis(heteroaryl)azulenes in a good yield. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.083

文献信息

• Synthesis of heteroarylazulenes: transition metal free coupling strategy of azulene with heterocycles
  作者：Taku Shoji、Ryuji Yokoyama、Shunji Ito、Masataka Watanabe、Kozo Toyota、Masafumi Yasunami、Noboru Morita

  DOI：10.1016/j.tetlet.2006.12.083

  日期：2007.2

  Azulene reacts with highly electrophilic trifluoromethanesulfonates of N-containing heterocycles to give 1-dihydroheteroaryl and 1,3.-bis(dihydroheteroaryl)azulene derivatives in a good yield. Treatment of the dihydroheteroarylazulene derivatives with KOH or tert-BuOK afforded 1-heteroaryl and 1,3-bis(heteroaryl)azulenes in a good yield. (c) 2006 Elsevier Ltd. All rights reserved.