1-(2-butoxy-2-methyl-6-nitro-2H-chromen-3-yl)ethanon | 1544524-59-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 1-(2-butoxy-2-methyl-6-nitro-2H-chromen-3-yl)ethanon
• 英文别名: 1-(2-Butoxy-2-methyl-6-nitrochromen-3-yl)ethanone；1-(2-butoxy-2-methyl-6-nitrochromen-3-yl)ethanone
• CAS: 1544524-59-5
• 化学式: C₁₆H₁₉NO₅
• 分子量: 305.331
• InChiKey: WLADYAILQRCNQS-UHFFFAOYSA-N

物化性质

• 熔点：
  104-106 °C
• 沸点：
  455.8±45.0 °C(predicted)
• 密度：
  1.22±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-硝基水杨醛 、 乙酰丙酮 、 正丁醇 在 L-脯氨酸 作用下， 反应 10.25h， 以60%的产率得到1-(2-butoxy-2-methyl-6-nitro-2H-chromen-3-yl)ethanon
  参考文献：
  名称：

  l-Proline catalyzed efficient and convenient synthesis of substituted 2H-chromenes by three-component reaction

  摘要：

  A convenient and efficient method is described for the synthesis of alkoxy substituted 2H-chromens by L-proline catalyzed reaction of salicylaldehydes with diketone in alcohol. The method is applicable for various substituted salicylaldehydes and aliphatic as well as benzylic alcohols. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.10.091

文献信息

• l-Proline catalyzed efficient and convenient synthesis of substituted 2H-chromenes by three-component reaction
  作者：L. Chandrasekhara Rao、H.M. Meshram、N. Satish Kumar、N. Nageswara Rao、N. Jagadeesh Babu

  DOI：10.1016/j.tetlet.2013.10.091

  日期：2014.2

  A convenient and efficient method is described for the synthesis of alkoxy substituted 2H-chromens by L-proline catalyzed reaction of salicylaldehydes with diketone in alcohol. The method is applicable for various substituted salicylaldehydes and aliphatic as well as benzylic alcohols. (C) 2013 Elsevier Ltd. All rights reserved.