3'-(benzyloxy)-2''-chloro-5'-methoxy-2-methyl-6''-nitro-1,1':2',1''-terphenyl | 1017280-70-4

• 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'-(benzyloxy)-2''-chloro-5'-methoxy-2-methyl-6''-nitro-1,1':2',1''-terphenyl
• CAS: 1017280-70-4
• 化学式: C₂₇H₂₂ClNO₄
• 分子量: 459.929
• InChiKey: NUZSPSZMHKQIOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.48
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-(2-Chloro-6-nitrophenyl)-1-iodo-5-methoxy-3-phenylmethoxybenzene 、 2-甲基苯硼酸 在 tris(dibenzylideneacetone)dipalladium (0) caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 37.0h， 以74%的产率得到3'-(benzyloxy)-2''-chloro-5'-methoxy-2-methyl-6''-nitro-1,1':2',1''-terphenyl
  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