1-(8-(tert-butylaminomethyl)-7-trifluoromethyl[1,10]phenanthrolin-5-yl)-2,2,2-trifluoroethane-1,1-diol | 1095008-49-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 1-(8-(tert-butylaminomethyl)-7-trifluoromethyl[1,10]phenanthrolin-5-yl)-2,2,2-trifluoroethane-1,1-diol
• 英文别名: 1-[8-[(Tert-butylamino)methyl]-7-(trifluoromethyl)-1,10-phenanthrolin-5-yl]-2,2,2-trifluoroethane-1,1-diol；1-[8-[(tert-butylamino)methyl]-7-(trifluoromethyl)-1,10-phenanthrolin-5-yl]-2,2,2-trifluoroethane-1,1-diol
• CAS: 1095008-49-3
• 化学式: C₂₀H₁₉F₆N₃O₂
• 分子量: 447.38
• InChiKey: CMDXEXQOCNNQBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.3
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 0.08h， 生成 1-(8-(tert-butylaminomethyl)-7-trifluoromethyl[1,10]phenanthrolin-5-yl)-2,2,2-trifluoroethane-1,1-diol
  参考文献：
  名称：

  Facile synthesis of fluorine-containing 1,10-phenanthrolines by the pyridine-ring formation reaction of N-propargyl-5,7-bis(trifluoroacetyl)-8-quinolylamine with amines: isolation of the intermediates 1,4-dihydro-1,10-phenanthrolin-4-ols

  摘要：

  Novel fluorine-containing 1,10-phenanthrolines having dialkyl-, alkyl, and arylaminomethyl substituents at the 3-position were easily synthesized in moderate yields by the pyridine-ring formation reaction of N-propargyl-5,7-bis(trifluoroacetyl)-8-quinolylamine with various a mines. Unexpectedly, the reactive intermediates 1,4-dihydro-1,10-phenanthrolin-4-ols were isolated for the first time in the reactions with dialkylamines. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.09.172

文献信息

• Fluorine-containing 1,10-phenanthrolines synthesis: an original and efficient approach by the pyridine-ring formation reaction of N-propargyl-5,7-bis(trifluoroacetyl)-8-quinolylamine with various nucleophiles
  作者：Dai Shibata、Etsuji Okada、Takayuki Miyaoku、Jérôme Molette、Maurice Médebielle

  DOI：10.1016/j.tet.2009.05.047

  日期：2009.8

  Novel fluorine-containing 1,10-phenanthrolines having a variety of substituents at the 3-position were easily synthesized in moderate yields by the pyridine-ring formation reaction of N-propargyl-5,7-bis(trifluoroacetyl)-8-quinolylamine with various amines, thiols, and phenols. Unexpectedly. the reactive intermediates 1,4-dihydro-1,10-phenanthrolin-4-ols were isolated for the first time in the reactions with dialkylamines. (C) 2009 Elsevier Ltd. All rights reserved.