N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxo-4H-chromene-2-carboxamide | 862993-28-0

• 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: N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxo-4H-chromene-2-carboxamide
• 英文别名: 7-hydroxy-4-oxo-4H-chromen-2-carboxylic acid (3-dimethylaminopropyl)amide；N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxochromene-2-carboxamide
• CAS: 862993-28-0
• 化学式: C₁₅H₁₈N₂O₄
• 分子量: 290.319
• InChiKey: MCDKDDDRMAVDLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxo-4H-chromene-2-carboxamide 、 碘甲烷 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 以68%的产率得到{3-[(7-hydroxy-4-oxo-4H-chromene-2-ylcarbonyl)amino]propyl}trimethylammonium iodide
  参考文献：
  名称：

  Chromone derivatives which bind to human hair

  摘要：

  Chromone derivatives bearing a quaternary ammonium functionality which bind to human hair were synthesised. The radical scavenging activity, according to the DPPH assay, of the chromone derivatives is considerably lower compared with flavonoids. The compounds show interesting UV absorption properties that depend on the position of a methoxy substituent. A bathochromic shift of 29 nm was observed when the methoxy group on the ammonium salts were shifted from position 7 to position 6. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.081
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 在 sodium ethanolate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxo-4H-chromene-2-carboxamide
  参考文献：
  名称：

  Chromone derivatives which bind to human hair

  摘要：

  Chromone derivatives bearing a quaternary ammonium functionality which bind to human hair were synthesised. The radical scavenging activity, according to the DPPH assay, of the chromone derivatives is considerably lower compared with flavonoids. The compounds show interesting UV absorption properties that depend on the position of a methoxy substituent. A bathochromic shift of 29 nm was observed when the methoxy group on the ammonium salts were shifted from position 7 to position 6. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.05.081

文献信息

• WO2006/94601
  申请人：——

  公开号：——

  公开（公告）日：——
• Chromone derivatives which bind to human hair
  作者：Thomas Walenzyk、Christophe Carola、Herwig Buchholz、Burkhard König

  DOI：10.1016/j.tet.2005.05.081

  日期：2005.8

  Chromone derivatives bearing a quaternary ammonium functionality which bind to human hair were synthesised. The radical scavenging activity, according to the DPPH assay, of the chromone derivatives is considerably lower compared with flavonoids. The compounds show interesting UV absorption properties that depend on the position of a methoxy substituent. A bathochromic shift of 29 nm was observed when the methoxy group on the ammonium salts were shifted from position 7 to position 6. (c) 2005 Elsevier Ltd. All rights reserved.