2-(benzo[b]thiophen-3-yl)benzo[d]oxazole | 1436428-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(benzo[b]thiophen-3-yl)benzo[d]oxazole
• 英文别名: 2-(benzo[b]thiophen-3-yl)benzoxazole；2-(1-Benzothiophen-3-yl)-1,3-benzoxazole
• CAS: 1436428-53-3
• 化学式: C₁₅H₉NOS
• 分子量: 251.309
• InChiKey: YOIIENZRQXQSSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-溴苯并噻吩 在 copper(l) iodide 、 氨 、 palladium diacetate 、 potassium carbonate 、 正丁基二(1-金刚烷基)膦 、 N,N'-二甲基乙二胺 作用下， 以 1,4-二氧六环 为溶剂， 100.0~110.0 ℃ 、200.0 kPa 条件下， 反应 36.0h， 生成 2-(benzo[b]thiophen-3-yl)benzo[d]oxazole
  参考文献：
  名称：

  Sequential one-pot synthesis of benzoxazoles from aryl bromides: successive palladium- and copper-catalyzed reactions

  摘要：

  A convenient one-pot process has been developed for the synthesis of benzoxazoles. Starting from aryl bromides and 1,2-dibromobenzenes palladium-catalyzed aminocarbonylation and subsequent copper-catalyzed coupling reaction gave a variety of substituted benzoxazoles in moderate to good yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.053

文献信息

• Room-temperature palladium-catalyzed direct 2-arylation of benzoxazoles with aryl and heteroaryl bromides
  作者：Feng Gao、Byeong-Seon Kim、Patrick J. Walsh

  DOI：10.1039/c4cc05307a

  日期：——

  The first room-temperature direct 2-arylation of benzoxazoles with aryl bromides by a Pd(OAc)₂/NiXantphos-based catalyst is reported.

  第一个室温下使用Pd(OAc)₂/NiXantphos基催化剂对苯并噁唑与芳基溴化物进行直接2-芳基化反应的研究结果已经报道。
• Sequential one-pot synthesis of benzoxazoles from aryl bromides: successive palladium- and copper-catalyzed reactions
  作者：Xiao-Feng Wu、Helfried Neumann、Stephan Neumann、Matthias Beller

  DOI：10.1016/j.tetlet.2013.03.053

  日期：2013.6

  A convenient one-pot process has been developed for the synthesis of benzoxazoles. Starting from aryl bromides and 1,2-dibromobenzenes palladium-catalyzed aminocarbonylation and subsequent copper-catalyzed coupling reaction gave a variety of substituted benzoxazoles in moderate to good yields. (C) 2013 Elsevier Ltd. All rights reserved.