2,4-bis(2,4-bis(2,4-dimethylphenoxymethyl)phenoxymethyl)allyloxybenzene | 1253261-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-bis(2,4-bis(2,4-dimethylphenoxymethyl)phenoxymethyl)allyloxybenzene
• 英文别名: 1-[[5-[[2,4-Bis[(2,4-dimethylphenoxy)methyl]phenoxy]methyl]-2-prop-2-enoxyphenyl]methoxy]-2,4-bis[(2,4-dimethylphenoxy)methyl]benzene；1-[[5-[[2,4-bis[(2,4-dimethylphenoxy)methyl]phenoxy]methyl]-2-prop-2-enoxyphenyl]methoxy]-2,4-bis[(2,4-dimethylphenoxy)methyl]benzene
• CAS: 1253261-52-7
• 化学式: C₅₉H₆₂O₇
• 分子量: 883.137
• InChiKey: IVEWIIIHSWXSNC-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C
• 沸点：
  923.6±60.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  14.2
• 重原子数：
  66
• 可旋转键数：
  21
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,4-bis(2,4-bis(2,4-dimethylphenoxymethyl)phenoxymethyl)allyloxybenzene 在 sodium tetrahydroborate 、 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以93%的产率得到2,4-二甲基苯酚
  参考文献：
  名称：

  Convergent Synthesis of Geometrically Disassembling Dendrimers using Cu(I)-Catalyzed C−O Bond Formation

  摘要：

  The convergent synthesis of geometrically degradable dendrimers based on the 2,4-bis(hydroxymethyl)phenol subunit is presented. The key step of the synthetic scheme involves the CuI/3,4,7,8-tetramethyl-1,10-phenanthroline-catalyzed coupling of aryl iodides and alcohols. The synthesis and disassembly of these compounds is discussed.

  DOI：

  10.1021/ol102081q
• 作为产物：
  描述：

  2,4-bis(2,4-dimethylphenoxymethyl)iodobenzene 、 1-allyloxy-2,4-bis(hydroxymethyl)benzene 在 copper(l) iodide 、 3,4,7,8-四甲基-1,10-菲罗啉 、 caesium carbonate 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以69%的产率得到2,4-bis(2,4-bis(2,4-dimethylphenoxymethyl)phenoxymethyl)allyloxybenzene
  参考文献：
  名称：

  Convergent Synthesis of Geometrically Disassembling Dendrimers using Cu(I)-Catalyzed C−O Bond Formation

  摘要：

  The convergent synthesis of geometrically degradable dendrimers based on the 2,4-bis(hydroxymethyl)phenol subunit is presented. The key step of the synthetic scheme involves the CuI/3,4,7,8-tetramethyl-1,10-phenanthroline-catalyzed coupling of aryl iodides and alcohols. The synthesis and disassembly of these compounds is discussed.

  DOI：

  10.1021/ol102081q

文献信息

• Convergent Synthesis of Geometrically Disassembling Dendrimers using Cu(I)-Catalyzed C−O Bond Formation
  作者：Nathan W. Polaske、Michael L. Szalai、Charles S. Shanahan、Dominic V. McGrath

  DOI：10.1021/ol102081q

  日期：2010.11.5

  The convergent synthesis of geometrically degradable dendrimers based on the 2,4-bis(hydroxymethyl)phenol subunit is presented. The key step of the synthetic scheme involves the CuI/3,4,7,8-tetramethyl-1,10-phenanthroline-catalyzed coupling of aryl iodides and alcohols. The synthesis and disassembly of these compounds is discussed.