2,2,2-trifluoro-1.1-di(1H-pyrrol-2-yl)ethanol | 1139719-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,2,2-trifluoro-1.1-di(1H-pyrrol-2-yl)ethanol
• 英文别名: 2,2,2-trifluoro-1,1-bis(1H-pyrrol-2-yl)ethanol
• CAS: 1139719-20-2
• 化学式: C₁₀H₉F₃N₂O
• 分子量: 230.189
• InChiKey: CBNGNJZWCCFPLA-UHFFFAOYSA-N

物化性质

• 沸点：
  415.6±45.0 °C(predicted)
• 密度：
  1.468±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吡咯 、 2-(三氟乙酰基)吡咯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以2.1%的产率得到2,2',2''-(2,2,2-trifluoroethane-1,1,1-triyl)tris(1H-pyrrole)
  参考文献：
  名称：

  A closer insight into the mechanism operating in the trifluoroacetylation of pyrrole. New trifluoromethyl pyrroylmethane discovered

  摘要：

  A former studied of acetylation of pyrrole was revisited and this allowed the identification of new compounds and the isolation and characterization of a very stable solid (2,2 ',2 ''-(2,2,2-trifluoroe-thane-1,1,1-triyl)tris(1H-pyrrole)). All these materials were probably missed, buried in the black tar that characterized the reaction. A careful and thorough selection of the reaction's conditions provided both evidence for three new compounds and a closer insight into the mechanism operating at room and lower temperatures. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.048

文献信息

• A closer insight into the mechanism operating in the trifluoroacetylation of pyrrole. New trifluoromethyl pyrroylmethane discovered
  作者：W.J. Peláez、M.A. Burgos Paci、G.A. Argüello

  DOI：10.1016/j.tetlet.2009.02.048

  日期：2009.4

  A former studied of acetylation of pyrrole was revisited and this allowed the identification of new compounds and the isolation and characterization of a very stable solid (2,2 ',2 ''-(2,2,2-trifluoroe-thane-1,1,1-triyl)tris(1H-pyrrole)). All these materials were probably missed, buried in the black tar that characterized the reaction. A careful and thorough selection of the reaction's conditions provided both evidence for three new compounds and a closer insight into the mechanism operating at room and lower temperatures. (C) 2009 Elsevier Ltd. All rights reserved.