αH-(Tridecachlorotriphenyl)methane-4,4'-dicarboxylic acid | 155202-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: αH-(Tridecachlorotriphenyl)methane-4,4'-dicarboxylic acid
• 英文别名: 4-[(4-Carboxy-2,3,5,6-tetrachlorophenyl)-(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachlorobenzoic acid
• CAS: 155202-96-3
• 化学式: C₂₁H₃Cl₁₃O₄
• 分子量: 780.141
• InChiKey: JBFPAFHAPLRZGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  αH-(Tridecachlorotriphenyl)methane-4,4'-dicarboxylic acid 在 sodium hydroxide 、 碘 作用下， 以90%的产率得到(Tridecachloro-4,4'-dicarboxytriphenyl)methyl radical
  参考文献：
  名称：

  A Robust Nanocontainer Based on a Pure Organic Free Radical

  摘要：

  A new pure organic paramagnetic porous molecular material, which combines hydrophilic windows with large hydrophobic nanocontainers, is shown to be stable even in absence of solvent guest molecules.

  DOI：

  10.1021/ja038988v
• 作为产物：
  描述：

  1,2,4,5-Tetrachloro-3-(dichloromethyl)-6-[(2,3,4,5,6-pentachlorophenyl)-[2,3,5,6-tetrachloro-4-(dichloromethyl)phenyl]methyl]benzene 在 硫酸 、 三氧化硫 作用下， 以31%的产率得到αH-(Tridecachlorotriphenyl)methane-4,4'-dicarboxylic acid
  参考文献：
  名称：

  A Robust Nanocontainer Based on a Pure Organic Free Radical

  摘要：

  A new pure organic paramagnetic porous molecular material, which combines hydrophilic windows with large hydrophobic nanocontainers, is shown to be stable even in absence of solvent guest molecules.

  DOI：

  10.1021/ja038988v

文献信息

• Inert Carbon Free Radicals. 11. Synthesis and Magnetic Behavior of (4,4'-Dicarboxytridecachlorotriphenyl)methyl Radical and Related Results
  作者：V. M. Domingo、J. Castaner、J. Riera、A. Labarta

  DOI：10.1021/jo00088a052

  日期：1994.5

  The syntheses of the title radical, its dimethyl ester, and 4H,4'H-(tridecachlorotriphenyl)methyl radical are described. Their ESR spectra and magnetic susceptibilities are reported and commented upon.
• Domingo V. M., Castaner J., Riera J., Labarta A., J. Org. Chem, 59 (1994) N 9, S 2604-2607
  作者：Domingo V. M., Castaner J., Riera J., Labarta A.

  DOI：——

  日期：——
• A Robust Nanocontainer Based on a Pure Organic Free Radical
  作者：Daniel Maspoch、Neus Domingo、Daniel Ruiz-Molina、Klaus Wurst、Javier Tejada、Concepció Rovira、Jaume Veciana

  DOI：10.1021/ja038988v

  日期：2004.1.28

  A new pure organic paramagnetic porous molecular material, which combines hydrophilic windows with large hydrophobic nanocontainers, is shown to be stable even in absence of solvent guest molecules.