(3,5-di-tert-butylsalicyl-idene)-2,5-difluoroaniline | 1428653-52-4

• 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: (3,5-di-tert-butylsalicyl-idene)-2,5-difluoroaniline
• 英文别名: 2,4-Di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol；2,4-ditert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol
• CAS: 1428653-52-4
• 化学式: C₂₁H₂₅F₂NO
• 分子量: 345.432
• InChiKey: XMIPFBRDWHDHGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3,5-di-tert-butylsalicyl-idene)-2,5-difluoroaniline 在 ammonium cerium (IV) nitrate 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Polyfluorinated Pd(II)-3,5-di-tert-butylsalicylaldimenes complexes: Synthesis, structure, spectroscopy, redox behaviors and catalytic activity

  摘要：

  A series of new polyfluorinated palladium(II) complexes (7-12) of N-polyfluoropheny1-3,5-di-tert-butylsalicylaldimines (1-6) have been synthesized. They were characterized by analytical, spectroscopic (UV/Vis, IR, H-1 NMR, and ESR), electrochemical methods and their chemical oxidation and hydrogenation catalytic activity were studied. The X-ray crystal structure analysis of bis[N-(3,5-di-tert-butylsalicylidene)-F5Ph]Pd(II) (12) revealed a slightly distorted square-planar trans-PdN2O2 geometry around the palladium center. The UV/Vis and EPR results indicate that chemical oxidation of 7-10 by Ce(IV) in CHCl3 generates relatively stable Pd(II)-phenoxyl radical complexes (g = 2.0044-2.0062). The results of chemical and electrochemical oxidation of 1-12, as well as the catalytic activity of 7-10 complexes in the hydrogenation of PhNO2 were presented. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.015
• 作为产物：
  描述：

  3,5-二叔丁基水杨醛 、 2,5-二氟苯胺 在 甲酸 作用下， 以 乙醇 为溶剂， 生成 (3,5-di-tert-butylsalicyl-idene)-2,5-difluoroaniline
  参考文献：
  名称：

  Polyfluorinated Pd(II)-3,5-di-tert-butylsalicylaldimenes complexes: Synthesis, structure, spectroscopy, redox behaviors and catalytic activity

  摘要：

  A series of new polyfluorinated palladium(II) complexes (7-12) of N-polyfluoropheny1-3,5-di-tert-butylsalicylaldimines (1-6) have been synthesized. They were characterized by analytical, spectroscopic (UV/Vis, IR, H-1 NMR, and ESR), electrochemical methods and their chemical oxidation and hydrogenation catalytic activity were studied. The X-ray crystal structure analysis of bis[N-(3,5-di-tert-butylsalicylidene)-F5Ph]Pd(II) (12) revealed a slightly distorted square-planar trans-PdN2O2 geometry around the palladium center. The UV/Vis and EPR results indicate that chemical oxidation of 7-10 by Ce(IV) in CHCl3 generates relatively stable Pd(II)-phenoxyl radical complexes (g = 2.0044-2.0062). The results of chemical and electrochemical oxidation of 1-12, as well as the catalytic activity of 7-10 complexes in the hydrogenation of PhNO2 were presented. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2013.01.015

文献信息

• Synthesis, characterization and effect of the fluorine substitution on the redox reactivity and in vitro anticancer behaviors of N-polyfluorophenyl-3,5-di-tert-butylsalicylaldimines and their Cu(II) complexes
  作者：V.T. Kasumov、F. Süzergöz、E. Sahin、Ö. Çelik、M. Aslanoğlu

  DOI：10.1016/j.jfluchem.2014.03.011

  日期：2014.6

  A series of new polyfluorinated bis(N-C6FnH5−n3,5-tBu2salicylaldiminato)Cu(II) [n = 2; 2,4-F2C6H3-3,5-DTBS (1), 2,5-F2C6H3-3,5-DTBS (2), 2,6-F2C6H3-3,5-DTBS (3); n = 3; 2,3,4-F3C6H2-3,5-DTBS (4), n = 4; 2,3,5,6-F4C6H-3,5-DTBS (5), n = 5; 2,3,4,5,6-F5C6-3,5-DTBS (6); where 3,5-DTBS is 3,5-tBu2salicylaldiminato] with N-polyfluorophenyl-3,5-di-tert-butylsalicylaldi-mines (HL1–HL6) have been synthesized

  一系列新的多氟化双（Ñ -C 6 ˚F ñ ħ 5- Ñ 3,5-吨卜2水杨醛）的Cu（II）[ Ñ  = 2; 2,4-F 2 C ^ 6 ħ 3 -3,5- DTBS（1），2,5--F 2 C ^ 6 ħ 3 -3,5- DTBS（2），2,6--F 2 C ^ 6 ħ 3 -3,5- DTBS（3）; n  = 3；2,3,4-F 3 c ^ 6 ħ 2 -3,5- DTBS（4），Ñ = 4; 2,3,5,6--F 4 Ç 6 H-3,5- DTBS（5），Ñ  = 5; 2,3,4,5,6-F 5 C ^ 6 -3,5- DTBS（6）; 其中3,5- DTBS是3,5-吨卜2水杨]与Ñ -polyfluorophenyl -3,5-二-叔-butylsalicylaldi地雷（HL 1 - HL 6）已经被合成。通过分析，光谱（UV / VIS，FT-IR，它们的结构，化学和