3,5-tBu2-2-(OH)C6H2CHNC6H4-2-CO2H | 387334-78-3

• 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-tBu2-2-(OH)C6H2CHNC6H4-2-CO2H
• 英文别名: [3,5-(tert-Bu)2-2-(OH)C6H2CHNC6H4-2-(COOH)]；2-[(3,5-Ditert-butyl-2-hydroxyphenyl)methylideneamino]benzoic acid
• CAS: 387334-78-3
• 化学式: C₂₂H₂₇NO₃
• 分子量: 353.461
• InChiKey: PRAFVGBPOHGKEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  69.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-tBu2-2-(OH)C6H2CHNC6H4-2-CO2H 以 甲苯 为溶剂， 生成 [{3,5-tBu2-2-(O)C6H2CHN[2-(CO2)C6H4]}B(thf)][CF3SO3]
  参考文献：
  名称：

  Synthesis, structures and luminescent behaviour of tridentate salicylaldiminato-type borate complexes

  摘要：

  Treatment of the ligands 3,5-tBu(2)-2-(OH)C6H2CHNR [R = 2-(CO2H)C6H4 (1a) and 2-(CO2H)C10H6 (1b)] with trimethylborate, B(OMe)(3), in toluene yields, after work-up, the yellow crystalline complexes {[3,5-tBu(2)-2-(O)C6H2CHNR]B(OMe)} [R = 2-(CO2)C6H4 (2a) and 2-(CO2)C10H6 (2b)], respectively. Further treatment of these complexes with trifluoromethanesulfonic (triflic) acid, CF3SO3H, followed by recrystallisation from tetrahydrofuran (thf) afforded the triflate salts [{3,5-tBu(2)-2-(O)C6H2CHNR}B(thf)][CF3SO3] [R = 2-(CO2)C6H4 (3a) and 2-(CO2)C10H6 (3b)]. An electroluminescent device was constructed using 2a, which produced orange-green light with broad emission spectra (maximum brightness of 5 cd/m(2) being observed at 13 V). Compounds 1a and 2b center dot 2MeCN have been characterised by single crystal X-ray structure determinations. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.11.006

文献信息

• Cellular uptake studies of two hexanuclear, carboxylate bridged, zinc ring structures using fluorescence microscopy
  作者：Carl Redshaw、Mark R. J. Elsegood、Josef W. A. Frese、Shane Ashby、Yimin Chao、Anja Mueller

  DOI：10.1039/c2cc32060f

  日期：——

  Two hexanuclear zinc complexes have been structurally characterized, and evaluation against several cells showed selective toxicity. Cellular uptake revealed a non-specific process, resulting in accumulation within the cell cytoplasm.

  两种六核锌复合物的结构特征已经确定，对几种细胞的评估显示其具有选择性毒性。细胞摄取显示了一种非特异性过程，导致其在细胞质内积聚。