methyl 2-(4-bromophenyl)benzo[b]furan-3-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: methyl 2-(4-bromophenyl)benzo[b]furan-3-carboxylate
• 英文别名: Methyl 2-(4-Bromophenyl)benzofuran-3-carboxylate；methyl 2-(4-bromophenyl)-1-benzofuran-3-carboxylate
• 化学式: C₁₆H₁₁BrO₃
• 分子量: 331.166
• InChiKey: RKODVXGDSXAHQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 3-(4-bromophenyl(hydroxyl)methylene)benzo[b]furan-2(3H)-one 在 硫酸 作用下， 反应 6.0h， 以91%的产率得到methyl 2-(4-bromophenyl)benzo[b]furan-3-carboxylate
  参考文献：
  名称：

  Transition-Metal-Free Synthesis of 2-Substituted Methyl Benzo[b]furan-3-carboxylates

  摘要：

  A concise and highly efficient synthetic pathway was developed for 2-substituted methyl benzo[b]furan-3-carboxylates. This method provides convenient and cost-effective access for 2-substituted methyl benzo[b]furan-3-carboxylates without the use of a transition metal catalyst for synthesis. Furthermore, in most cases, this method gives excellent yields and conventional flash column chromatography is not needed for purification.

  DOI：

  10.1021/acs.joc.5b01311

文献信息

• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS
  申请人：InterMune, Inc.

  公开号：US20140213538A1

  公开（公告）日：2014-07-31

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  本发明提供了化合物、制备这种化合物的方法、包含这种化合物的制药组合物和药物，以及使用这种化合物治疗、预防或诊断与一种或多种溶血磷脂酸受体相关的疾病、疾病、或病况的方法。
• [EN] LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE L'ACIDE LYSOPHOSPHATIDIQUE
  申请人：INTERMUNE INC

  公开号：WO2014113485A1

  公开（公告）日：2014-07-24

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the Iysophosphatidic acid receptors are provided.