2',4',6'-trimethyl-4-[N-tert-butyl-N-(tert-butyldimethylsiloxy)amino]biphenyl

• 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: 2',4',6'-trimethyl-4-[N-tert-butyl-N-(tert-butyldimethylsiloxy)amino]biphenyl
• 英文别名: 2',4',6'-trimethyl-4-[N-t-butyl-N-(t-butyldi-methylsiloxy)amino]biphenyl；N-tert-butyl-N-[tert-butyl(dimethyl)silyl]oxy-4-(2,4,6-trimethylphenyl)aniline
• 化学式: C₂₅H₃₉NOSi
• 分子量: 397.676
• InChiKey: BOCUWEUDHHKYGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.82
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2',4',6'-trimethyl-4-[N-tert-butyl-N-(tert-butyldimethylsiloxy)amino]biphenyl 在 四丁基氟化铵 、 lead dioxide 作用下， 生成
  参考文献：
  名称：

  Synthesis and Characterization of Phenylnitroxide-Substituted Zinc(II) Porphyrins

  摘要：

  The syntheses and fluid-solution EPR spectra of nitroxide-substituted porphyrins 1-3 are described. The phenylnitroxide is attached to the meso-position of three porphyrins: (a) directly through a single bond (1); (b) through an ethenyl group (2); and (c) through an ethynyl group(3). The spin distribution in each of the three radicals is discussed and compared to model compounds 4-9. It is suggested that delocalization increases in the order 2, 1, 3.

  DOI：

  10.1021/jo971736q
• 作为产物：
  描述：

  2-溴-1,3,5-三甲基苯 、 4-[N-tert-butyl-N-(tert-butyldimethylsilyloxy)amino]phenyl-1-boronic acid pinacol ester 在 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 48.0h， 以55%的产率得到2',4',6'-trimethyl-4-[N-tert-butyl-N-(tert-butyldimethylsiloxy)amino]biphenyl
  参考文献：
  名称：

  Synthesis and Characterization of Phenylnitroxide-Substituted Zinc(II) Porphyrins

  摘要：

  The syntheses and fluid-solution EPR spectra of nitroxide-substituted porphyrins 1-3 are described. The phenylnitroxide is attached to the meso-position of three porphyrins: (a) directly through a single bond (1); (b) through an ethenyl group (2); and (c) through an ethynyl group(3). The spin distribution in each of the three radicals is discussed and compared to model compounds 4-9. It is suggested that delocalization increases in the order 2, 1, 3.

  DOI：

  10.1021/jo971736q

文献信息

• Synthesis and Characterization of Phenylnitroxide-Substituted Zinc(II) Porphyrins
  作者：David A. Shultz、Kevin P. Gwaltney、Hyoyoung Lee

  DOI：10.1021/jo971736q

  日期：1998.2.1

  The syntheses and fluid-solution EPR spectra of nitroxide-substituted porphyrins 1-3 are described. The phenylnitroxide is attached to the meso-position of three porphyrins: (a) directly through a single bond (1); (b) through an ethenyl group (2); and (c) through an ethynyl group(3). The spin distribution in each of the three radicals is discussed and compared to model compounds 4-9. It is suggested that delocalization increases in the order 2, 1, 3.