3-((E)-(3-(trifluoromethyl)phenylimino)methyl)phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-((E)-(3-(trifluoromethyl)phenylimino)methyl)phenol
• 化学式: C₁₄H₁₀F₃NO
• 分子量: 265.235
• InChiKey: LVBSDWKYZVGTGC-GIJQJNRQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.16
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  间氨基三氟甲苯 、 间羟基苯甲醛 以 二氯甲烷 为溶剂， 反应 48.0h， 以75%的产率得到3-((E)-(3-(trifluoromethyl)phenylimino)methyl)phenol
  参考文献：
  名称：

  Synthesis, structural characterization and biological activity of fluorinated Schiff-bases of the type [C6H4-1-(OH)-3-(CHNArF)]

  摘要：

  A series of fluorinated imines of the type [C6H4-1-(OH)-3-(CH=NArF)]; Ar-F=C6H4-4-F (1), C6H3-2,3-F-2 (2), C6H3-3,5-F-2 (3), C6H2-2,4,6-F-3 (4), C6H4-3-CF3 (5), C6H3-3,5-(CF3)(2) (6), were synthesized and fully characterized including single crystal X-ray diffraction analyses of compounds [C6H4-1-(OH)-3-(CH=NC6- H-4-4-F)] (1), [C6H4-1-(OH)-3-(CH=Nc(6)H(3)-3,5-F-2)] (3), [C6H4-1-(OH)-3-(CH=NC6H4-3-CF3)] (5). Further analyses of these results allowed the identification of the predominant non-covalent interactions and supramolecular arrangements in the solid state. Exploration of the anti-bacterial activity against both gram-positive and gram-negative bacteria showed those compounds including F or CF3 substituents at the meta positions i.e. [C6H4-1-(OH)-3-(CH=NC6H3-3,5-F-2)] (3), [C6H4-1-(OH)-3-(CH=NC6H4-3-CF3)] (5), [C6H4-1-(OH)-3-(CH=NC6H3-3,5-(CF3)(2))] (6), to be the best when their activity is compared versus ampicillin. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.12.080

文献信息

• Synthesis, structural characterization and biological activity of fluorinated Schiff-bases of the type [C6H4-1-(OH)-3-(CHNArF)]
  作者：Alcives Avila-Sorrosa、Jorge Ignacio Hernández-González、Alicia Reyes-Arellano、Rubén A. Toscano、Reyna Reyes-Martínez、J. Roberto Pioquinto-Mendoza、David Morales-Morales

  DOI：10.1016/j.molstruc.2014.12.080

  日期：2015.4

  A series of fluorinated imines of the type [C6H4-1-(OH)-3-(CH=NArF)]; Ar-F=C6H4-4-F (1), C6H3-2,3-F-2 (2), C6H3-3,5-F-2 (3), C6H2-2,4,6-F-3 (4), C6H4-3-CF3 (5), C6H3-3,5-(CF3)(2) (6), were synthesized and fully characterized including single crystal X-ray diffraction analyses of compounds [C6H4-1-(OH)-3-(CH=NC6- H-4-4-F)] (1), [C6H4-1-(OH)-3-(CH=Nc(6)H(3)-3,5-F-2)] (3), [C6H4-1-(OH)-3-(CH=NC6H4-3-CF3)] (5). Further analyses of these results allowed the identification of the predominant non-covalent interactions and supramolecular arrangements in the solid state. Exploration of the anti-bacterial activity against both gram-positive and gram-negative bacteria showed those compounds including F or CF3 substituents at the meta positions i.e. [C6H4-1-(OH)-3-(CH=NC6H3-3,5-F-2)] (3), [C6H4-1-(OH)-3-(CH=NC6H4-3-CF3)] (5), [C6H4-1-(OH)-3-(CH=NC6H3-3,5-(CF3)(2))] (6), to be the best when their activity is compared versus ampicillin. (C) 2015 Elsevier B.V. All rights reserved.