2-(2-Chloro-6-nitrophenyl)-5-methoxy-1-methyl-3-phenylmethoxybenzene | 1017280-67-9

• 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-(2-Chloro-6-nitrophenyl)-5-methoxy-1-methyl-3-phenylmethoxybenzene
• CAS: 1017280-67-9
• 化学式: C₂₁H₁₈ClNO₄
• 分子量: 383.831
• InChiKey: ZGQAMBDJIXMYRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  103-105 °C
• 沸点：
  476.3±45.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  苯硼酸酐 、 2-(2-Chloro-6-nitrophenyl)-5-methoxy-1-methyl-3-phenylmethoxybenzene 在 [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以83%的产率得到5-Methoxy-1-methyl-2-(2-nitro-6-phenylphenyl)-3-phenylmethoxybenzene
  参考文献：
  名称：

  Synthesis of Programmable Tetra-ortho-Substituted Biaryl Compounds Using Diels−Alder Cycloadditions/Cycloreversions of Disubstituted Alkynyl Stannanes

  摘要：

  Orthogonally functionalized, programmable biaryl templates have been synthesized utilizing aryl acetylenic stannanes and oxygenated dienes in a cycloaddition/cycloreversion strategy. Sequential functionalization of each of the four ortho positions has been demonstrated. Subsequent resolution of a representative anilino phenol has been accomplished. Additionally, a highly active anhydrous, boroxine-based Suzuki coupling protocol has been developed for conversion of unreactive aryl chlorides.

  DOI：

  10.1021/ja7113486
• 作为产物：
  描述：

  在 tris-(dibenzylideneacetone)dipalladium(0) 、 三环己基膦 碘 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 生成 2-(2-Chloro-6-nitrophenyl)-5-methoxy-1-methyl-3-phenylmethoxybenzene
  参考文献：
  名称：

  WO2008/156656

  摘要：

  公开号：

文献信息

• WO2008/156656
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis of Programmable Tetra-<i>ortho</i>-Substituted Biaryl Compounds Using Diels−Alder Cycloadditions/Cycloreversions of Disubstituted Alkynyl Stannanes
  作者：Johanna R. Perkins、Rich G. Carter

  DOI：10.1021/ja7113486

  日期：2008.3.1

  Orthogonally functionalized, programmable biaryl templates have been synthesized utilizing aryl acetylenic stannanes and oxygenated dienes in a cycloaddition/cycloreversion strategy. Sequential functionalization of each of the four ortho positions has been demonstrated. Subsequent resolution of a representative anilino phenol has been accomplished. Additionally, a highly active anhydrous, boroxine-based Suzuki coupling protocol has been developed for conversion of unreactive aryl chlorides.