4-溴-2-甲氧基苯甲酸乙酯 | 1214366-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-2-甲氧基苯甲酸乙酯
• 英文名称: ethyl 4-bromo-2-methoxybenzoate
• 英文别名: 4-Bromo-2-methoxybenzoic acid ethyl ester
• CAS: 1214366-76-3
• 化学式: C₁₀H₁₁BrO₃
• 分子量: 259.1
• InChiKey: KIJFCXXSVUJWAA-UHFFFAOYSA-N

物化性质

• 沸点：
  318.5±22.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4-溴-2-甲氧基苯甲酸乙酯 在 dipotassium peroxodisulfate 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 三氟乙酸 、 三氟乙酸酐 作用下， 反应 11.0h， 以71%的产率得到ethyl 4-bromo-2-hydroxy-6-methoxybenzoate
  参考文献：
  名称：

  Ruthenium(II)-Catalyzed Synthesis of Hydroxylated Arenes with Ester as an Effective Directing Group

  摘要：

  An unprecedented Ru(II) catalyzed ortho-hydroxylation has been developed for the facile synthesis of a variety of multifunctionalized arenes from easily accessible ethyl benzoates with ester as an efficient directing group. Both the TFA/TFAA cosolvent system and oxidants serve as the critical success factors in this transformation. The reaction demonstrates excellent reactivity, good functional group tolerance, and high yields.

  DOI：

  10.1021/ol301104n
• 作为产物：
  描述：

  4-溴苯甲酸乙酯 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 potassium carbonate 、 Selectfluor 、 三氟乙酸 、 三氟乙酸酐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.5h， 生成 4-溴-2-甲氧基苯甲酸乙酯
  参考文献：
  名称：

  Ruthenium(II)-Catalyzed Synthesis of Hydroxylated Arenes with Ester as an Effective Directing Group

  摘要：

  An unprecedented Ru(II) catalyzed ortho-hydroxylation has been developed for the facile synthesis of a variety of multifunctionalized arenes from easily accessible ethyl benzoates with ester as an efficient directing group. Both the TFA/TFAA cosolvent system and oxidants serve as the critical success factors in this transformation. The reaction demonstrates excellent reactivity, good functional group tolerance, and high yields.

  DOI：

  10.1021/ol301104n

文献信息

• Ruthenium(II)-Catalyzed Synthesis of Hydroxylated Arenes with Ester as an Effective Directing Group
  作者：Yiqing Yang、Yun Lin、Yu Rao

  DOI：10.1021/ol301104n

  日期：2012.6.1

  An unprecedented Ru(II) catalyzed ortho-hydroxylation has been developed for the facile synthesis of a variety of multifunctionalized arenes from easily accessible ethyl benzoates with ester as an efficient directing group. Both the TFA/TFAA cosolvent system and oxidants serve as the critical success factors in this transformation. The reaction demonstrates excellent reactivity, good functional group tolerance, and high yields.