1,4-bis(trifluoromethyl)pyridazino<4,5-b>indole | 111888-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,4-bis(trifluoromethyl)pyridazino<4,5-b>indole
• 英文别名: 5H-Pyridazino[4,5-b]indole, 1,4-bis(trifluoromethyl)-；1,4-bis(trifluoromethyl)-5H-pyridazino[4,5-b]indole
• CAS: 111888-15-4
• 化学式: C₁₂H₅F₆N₃
• 分子量: 305.182
• InChiKey: FZMJWCBPPOSMDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(1-吡咯烷)环戊烯 、 1,4-bis(trifluoromethyl)pyridazino<4,5-b>indole 以 1,4-二氧六环 为溶剂， 反应 120.0h， 以69%的产率得到4,10-bis(trifluoromethyl)-2,3-dihydro-1H-cyclopentacarbazole
  参考文献：
  名称：

  Inverse-Electron-Demand Diels-Alder Reactions of Condensed Pyridazines, 5. 1,4-Bis(trifluoromethyl)pyridazino[4,5-b]indole as an Azadiene

  摘要：

  The pyridazino[4,5-b]indole (3), which is conveniently available from 3-methylthioindole and the tetrazine (2), undergoes thermally induced inverse-electron-demand Diels-Alder reactions with enamines to afford the cycloalkene-annelated carbazoles (7,8) or the 2-substituted carbazole (9), respectively.

  DOI：

  10.3987/com-94-6726
• 作为产物：
  描述：

  3,6-bis(trifluoromethyl)-1,2,4,5-tetrazine 、 3-methylthioindole 以 甲苯 为溶剂， 反应 4.0h， 以58%的产率得到1,4-bis(trifluoromethyl)pyridazino<4,5-b>indole
  参考文献：
  名称：

  Inverse-Electron-Demand Diels-Alder Reactions of Condensed Pyridazines, 5. 1,4-Bis(trifluoromethyl)pyridazino[4,5-b]indole as an Azadiene

  摘要：

  The pyridazino[4,5-b]indole (3), which is conveniently available from 3-methylthioindole and the tetrazine (2), undergoes thermally induced inverse-electron-demand Diels-Alder reactions with enamines to afford the cycloalkene-annelated carbazoles (7,8) or the 2-substituted carbazole (9), respectively.

  DOI：

  10.3987/com-94-6726

文献信息

• SEITZ G.; MOHR R., CHEM.-ZTG, 111,(1987) N 2, 81-82
  作者：SEITZ G.、 MOHR R.

  DOI：——

  日期：——
• Inverse-Electron-Demand Diels-Alder Reactions of Condensed Pyridazines, 5. 1,4-Bis(trifluoromethyl)pyridazino[4,5-b]indole as an Azadiene
  作者：Norbert Haider、Richard Wanko

  DOI：10.3987/com-94-6726

  日期：——

  The pyridazino[4,5-b]indole (3), which is conveniently available from 3-methylthioindole and the tetrazine (2), undergoes thermally induced inverse-electron-demand Diels-Alder reactions with enamines to afford the cycloalkene-annelated carbazoles (7,8) or the 2-substituted carbazole (9), respectively.