N-(2-cyanophenyl)benzo[b]thiophene-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: N-(2-cyanophenyl)benzo[b]thiophene-2-carboxamide
• 化学式: C₁₆H₁₀N₂OS
• 分子量: 278.334
• InChiKey: CCINZYQXDMCMEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.89
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-溴苯并噻吩 、 2-氨基苯甲腈 、 molybdenum hexacarbonyl 在 palladium diacetate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 正丁基二(1-金刚烷基)膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以43%的产率得到N-(2-cyanophenyl)benzo[b]thiophene-2-carboxamide
  参考文献：
  名称：

  Palladium-catalyzed carbonylative synthesis of N-(2-cyanoaryl)benzamides and sequential synthesis of quinazolinones

  摘要：

  A convenient procedure for the synthesis of N-(2-cyanoaryl)benzamides has been developed. Using aryl bromides and 2-aminobenzonitriles as the substrates, Mo(CO)(6) as the CO source, the desired amides were produced in good yields. Quinazolinones were produced in good yields in a sequential manner as well. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.11.055

文献信息

• Palladium-catalyzed carbonylative synthesis of N-(2-cyanoaryl)benzamides and sequential synthesis of quinazolinones
  作者：Xiao-Feng Wu、Stefan Oschatz、Muhammad Sharif、Matthias Beller、Peter Langer

  DOI：10.1016/j.tet.2013.11.055

  日期：2014.1

  A convenient procedure for the synthesis of N-(2-cyanoaryl)benzamides has been developed. Using aryl bromides and 2-aminobenzonitriles as the substrates, Mo(CO)(6) as the CO source, the desired amides were produced in good yields. Quinazolinones were produced in good yields in a sequential manner as well. (C) 2013 Elsevier Ltd. All rights reserved.