2-amino-4-(2-(hex-1-yn-1-yl)-phenyl)-4H-benzo[h]chromene-3-carbonitrile | 1343978-66-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 2-amino-4-(2-(hex-1-yn-1-yl)-phenyl)-4H-benzo[h]chromene-3-carbonitrile
• 英文别名: 2-amino-4-(2-hex-1-ynylphenyl)-4H-benzo[h]chromene-3-carbonitrile
• CAS: 1343978-66-4
• 化学式: C₂₆H₂₂N₂O
• 分子量: 378.473
• InChiKey: XKDXFLQQGCKPDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  萘酚 、 2-碘苯甲醛 、 1-己炔 、 丙二腈 在 四氢吡咯 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到2-amino-4-(2-(hex-1-yn-1-yl)-phenyl)-4H-benzo[h]chromene-3-carbonitrile
  参考文献：
  名称：

  A Pd-mediated new strategy to functionalized 2-aminochromenes: Their in vitro evaluation as potential anti tuberculosis agents

  摘要：

  A multi component based synthesis involving palladium catalyzed C-C bond forming reaction has been developed as a new strategy to access systematically modified functionalized 2-aminochromenes. This MCR involves the use of bromobenzaldehyde as a key component and is highlighted by generating a new compound library. Many of these compounds showed Mycobacterium tuberculosis H37Rv chorismate mutase inhibiting properties in vitro representing the lead example of chorismate mutase inhibition by heteroarene based compounds. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.088

文献信息

• A Pd-mediated new strategy to functionalized 2-aminochromenes: Their in vitro evaluation as potential anti tuberculosis agents
  作者：T. Ram Reddy、L. Srinivasula Reddy、G. Rajeshwar Reddy、Venkata Subbaiah Nuthalapati、Y. Lingappa、Sandhya Sandra、Ravikumar Kapavarapu、Parimal Misra、Manojit Pal

  DOI：10.1016/j.bmcl.2011.08.088

  日期：2011.11

  A multi component based synthesis involving palladium catalyzed C-C bond forming reaction has been developed as a new strategy to access systematically modified functionalized 2-aminochromenes. This MCR involves the use of bromobenzaldehyde as a key component and is highlighted by generating a new compound library. Many of these compounds showed Mycobacterium tuberculosis H37Rv chorismate mutase inhibiting properties in vitro representing the lead example of chorismate mutase inhibition by heteroarene based compounds. (C) 2011 Elsevier Ltd. All rights reserved.