4-Trifluoromethyl-4a-chloro-5,6,7,8,9,9-hexafluoro(4aH,9H)indeno[2,1c][1,2,6]-selenadiazine | 270070-21-8

• 分子结构分类: 有机化合物 - 有机卤素化合物
• 英文名称: 4-Trifluoromethyl-4a-chloro-5,6,7,8,9,9-hexafluoro(4aH,9H)indeno[2,1c][1,2,6]-selenadiazine
• 英文别名: 4a-Chloro-5,6,7,8,9,9-hexafluoro-4-(trifluoromethyl)indeno[2,1-c][1,2,6]selenadiazine
• CAS: 270070-21-8
• 化学式: C₁₁ClF₉N₂Se
• 分子量: 445.533
• InChiKey: WZIFUGLAVKGHDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  4-Trifluoromethyl-4a-chloro-5,6,7,8,9,9-hexafluoro(4aH,9H)indeno[2,1c][1,2,6]-selenadiazine 在 水 作用下， 以 二氯甲烷-D2 为溶剂， 生成 4-Trifluoromethyl-5,6,7,8,9,9-hexafluoroindeno[2,1c][1,2,6]selenadinyl triflate
  参考文献：
  名称：

  The first synthesis of fluorine-containing indeno[2,1c][1,2,6]-selenadiazines

  摘要：

  4-Trifluoromethyl-4a-chloro-5,6,7, 8,9,9-hexafluoro(4aH, 9H)indeno[2,1c][1,2,6] -selenadiazine (1) has been synthesised by the interaction of 2-amino-3-(1-imino-2,2,2-trifluoroethyl)hexafluoroindene (2) with SeCl4 in the presence of HCl accepters. Hydrolysis and reaction with CF3SO3H are also described. Arrangement of atoms for 1 are provided. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00295-x
• 作为产物：
  描述：

  2-amino-3-(1-imino-2,2,2-trifluoroethyl)hexafluoro-1H-indene 在 吡啶 、 selenium tetrachloride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以84%的产率得到4-Trifluoromethyl-4a-chloro-5,6,7,8,9,9-hexafluoro(4aH,9H)indeno[2,1c][1,2,6]-selenadiazine
  参考文献：
  名称：

  The first synthesis of fluorine-containing indeno[2,1c][1,2,6]-selenadiazines

  摘要：

  4-Trifluoromethyl-4a-chloro-5,6,7, 8,9,9-hexafluoro(4aH, 9H)indeno[2,1c][1,2,6] -selenadiazine (1) has been synthesised by the interaction of 2-amino-3-(1-imino-2,2,2-trifluoroethyl)hexafluoroindene (2) with SeCl4 in the presence of HCl accepters. Hydrolysis and reaction with CF3SO3H are also described. Arrangement of atoms for 1 are provided. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(99)00295-x