ethyl 2-(2-bromo-4-methoxyphenoxy)acetate | 1459128-90-5

• 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: ethyl 2-(2-bromo-4-methoxyphenoxy)acetate
• 英文别名: Ethyl 2-(2-bromo-4-methoxyphenoxy)acetate
• CAS: 1459128-90-5
• 化学式: C₁₁H₁₃BrO₄
• 分子量: 289.126
• InChiKey: TXGMVICILJCGLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-bromo-4-methoxyphenoxy)acetate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (2-bromo-4-methoxy-phenoxy)-acetic acid
  参考文献：
  名称：

  Design, synthesis and biological evaluation of oxime lacking Psammaplin inspired chemical libraries as anti-cancer agents

  摘要：

  DOI：

  10.1016/j.molstruc.2020.129173
• 作为产物：
  描述：

  2-溴-4-甲氧基苯酚 、 溴乙酸乙酯 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 以76%的产率得到ethyl 2-(2-bromo-4-methoxyphenoxy)acetate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of oxime lacking Psammaplin inspired chemical libraries as anti-cancer agents

  摘要：

  DOI：

  10.1016/j.molstruc.2020.129173

文献信息

• DBU-mediated regioselective intramolecular cyclization/dehydration of ortho diketo phenoxyethers: a synthesis of 2,3-substituted γ-benzopyranones
  作者：Sofia Bensulong、Jutatip Boonsombat、Somsak Ruchirawat

  DOI：10.1016/j.tet.2013.07.104

  日期：2013.11

  The regioselective cyclization/dehydration sequence of ortho diketo phenoxyethers induced by DBU has been explored. The results demonstrated a high degree of selectivity with preference for 6-exo-trig cyclization leading to the formation of gamma-benzopyranone derivatives in good yield. (C) 2013 Elsevier Ltd. All rights reserved.
• Selective Friedel–Crafts Acylation Reactions of 2-Arylphenoxyacetic Acids: A Simple and Efficient Methodology to Synthesize Dibenzoxepine and Arylcoumaranone Derivatives
  作者：Wenyi Chu、Zhizhong Sun、Jialin Wang、Jiaqi Liu、Hao Lan

  DOI：10.1055/s-0034-1380211

  日期：——

  Intramolecular Friedel-Crafts acylation reactions of 2-arylphenoxyacetic acids are accomplished using trifluoroacetic anhydride or trifluoromethanesulfonic acid at 0 degrees C or room temperature. Depending on the reaction conditions, dibenzoxepines or arylcoumaranones are obtained in good yields and with high selectivities (83-100%). Plausible mechanistic pathways for the selective formation of the different reaction products are discussed.
• Design, synthesis and biological evaluation of oxime lacking Psammaplin inspired chemical libraries as anti-cancer agents
  作者：Srinivas Lavanya Kumar M、Kasim Ali、Priyank Chaturvedi、Sanjeev Meena、Dipak Datta、Gautam Panda

  DOI：10.1016/j.molstruc.2020.129173

  日期：2021.2