(3,4,5-Trioctadecoxyphenyl)methyl 4-bromobenzoate | 874975-13-0

• 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-bromobenzoate
• CAS: 874975-13-0
• 化学式: C₆₈H₁₁₉BrO₅
• 分子量: 1096.59
• InChiKey: NBZFLRUCERRWEA-UHFFFAOYSA-N

物化性质

• 沸点：
  944.7±60.0 °C(Predicted)
• 密度：
  0.980±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  30.4
• 重原子数：
  74
• 可旋转键数：
  58
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3,4,5-Trioctadecoxyphenyl)methyl 4-bromobenzoate 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium phosphate 、 sodium methylate 、 甲基环己烷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 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：

  4-溴苯甲酸 、 3,4,5-tris(octadecyloxy)benzyl alcohol 在 4-二甲氨基吡啶 、 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 1.0h， 生成 (3,4,5-Trioctadecoxyphenyl)methyl 4-bromobenzoate
  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

文献信息

• Microwave-promoted Suzuki–Miyaura coupling reactions in a cycloalkane-based thermomorphic biphasic system
  作者：Kanako Hayashi、Shokaku Kim、Yusuke Kono、Mihoko Tamura、Kazuhiro Chiba

  DOI：10.1016/j.tetlet.2005.10.161

  日期：2006.1

  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.