1-bromo-2-ethoxy-3-methoxybenzene | 1269479-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-bromo-2-ethoxy-3-methoxybenzene
• CAS: 1269479-63-1
• 化学式: C₉H₁₁BrO₂
• 分子量: 231.089
• InChiKey: UVIWKJHCRUAJIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-bromo-2-ethoxy-3-methoxybenzene 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四丁基氟化铵 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 13.25h， 生成 2-ethoxy-1-ethynyl-3-methoxybenzene
  参考文献：
  名称：

  Highly Selective Insertion of Arynes into a C(sp)−O(sp³) σ Bond

  摘要：

  Arynes react with ethoxyacetylene to afford 2-ethoxyethynylaryl derivatives through a highly chemo- and regioselective formal insertion of the aryne into the C(sp)-O(sp(3)) bond of the alkyne. Computational studies suggest that the reaction does not proceed through a mechanism initiated by the nucleophilic addition of the oxygen atom to the aryne as previously proposed but by the addition of the triple bond of the alkyne to the aryne.

  DOI：

  10.1021/ol103001k
• 作为产物：
  描述：

  溴乙烷 、 2-溴-6-甲氧基苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以73%的产率得到1-bromo-2-ethoxy-3-methoxybenzene
  参考文献：
  名称：

  Highly Selective Insertion of Arynes into a C(sp)−O(sp³) σ Bond

  摘要：

  Arynes react with ethoxyacetylene to afford 2-ethoxyethynylaryl derivatives through a highly chemo- and regioselective formal insertion of the aryne into the C(sp)-O(sp(3)) bond of the alkyne. Computational studies suggest that the reaction does not proceed through a mechanism initiated by the nucleophilic addition of the oxygen atom to the aryne as previously proposed but by the addition of the triple bond of the alkyne to the aryne.

  DOI：

  10.1021/ol103001k

文献信息

• Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners
  申请人：Castro Alfredo C.

  公开号：US20110213145A1

  公开（公告）日：2011-09-01

  The invention relates to isoxazolidine containing compounds that bind to bcl proteins and inhibit Bcl function. The compounds may be used for treating and modulating disorders associated with hyperproliferation, such as cancer.

  本发明涉及含有异氧杂环丙氨酸的化合物，这些化合物与bcl蛋白结合并抑制Bcl功能。这些化合物可用于治疗和调节与过度增殖有关的疾病，如癌症。
• US8178690B2
  申请人：——

  公开号：US8178690B2

  公开（公告）日：2012-05-15
• Highly Selective Insertion of Arynes into a C(sp)−O(sp³) σ Bond
  作者：Krzysztof Z. Ła̧czkowski、Diego García、Diego Peña、Agustín Cobas、Dolores Pérez、Enrique Guitián

  DOI：10.1021/ol103001k

  日期：2011.3.4

  Arynes react with ethoxyacetylene to afford 2-ethoxyethynylaryl derivatives through a highly chemo- and regioselective formal insertion of the aryne into the C(sp)-O(sp(3)) bond of the alkyne. Computational studies suggest that the reaction does not proceed through a mechanism initiated by the nucleophilic addition of the oxygen atom to the aryne as previously proposed but by the addition of the triple bond of the alkyne to the aryne.