(3,4,5-Trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate | 874975-16-3

• 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: (3,4,5-Trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate
• CAS: 874975-16-3
• 化学式: C₇₄H₁₂₃FO₅
• 分子量: 1111.79
• InChiKey: OCWDRJRAXMCDSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.4
• 重原子数：
  80
• 可旋转键数：
  59
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3,4,5-Trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 methyl 4'-fluoro-[1,1'-biphenyl]-4-carboxylate
  参考文献：
  名称：

  Microwave-promoted Suzuki–Miyaura coupling reactions in a cycloalkane-based thermomorphic biphasic system

  摘要：

  Microwave-promoted Suzuki-Miyaura coupling reaction of aryl halides attached to a cycloalkane-soluble platform was accomplished in a cycloalkane-based thermomorphic biphasic system. Following irradiation and subsequent cooling, the monophasic reaction mixture immediately formed a biphasic solution to allow facile workup and separation of the product. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.161
• 作为产物：
  描述：

  3,4,5-tris(octadecyloxy)benzyl alcohol 在 4-二甲氨基吡啶 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 甲基环己烷 、 N,N'-二异丙基碳二亚胺 作用下， 以 环己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.08h， 生成 (3,4,5-Trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate
  参考文献：
  名称：

  Microwave-promoted Suzuki–Miyaura coupling reactions in a cycloalkane-based thermomorphic biphasic system

  摘要：

  Microwave-promoted Suzuki-Miyaura coupling reaction of aryl halides attached to a cycloalkane-soluble platform was accomplished in a cycloalkane-based thermomorphic biphasic system. Following irradiation and subsequent cooling, the monophasic reaction mixture immediately formed a biphasic solution to allow facile workup and separation of the product. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.10.161